(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine

C165H238Cl7F5N10O9 — CID 157346898

IUPAC(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
SMILESC=C(C(C)C)[C@H](CNC1(C)CCOCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCC(OC)CC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCCCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C)c(F)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC)c(F)c1.C=C(C(C)C)[C@H](CN[C@H]1CCOC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C20H30ClNO.C19H28ClNO.C19H28ClN.C19H28FNO2.C19H28FNO.C18H25ClFNO.C17H24ClFN2O.C17H23ClFNO.C17H24ClNO/c1-14(2)15(3)20(16-5-7-17(21)8-6-16)13-22-18-9-11-19(23-4)12-10-18;1-14(2)15(3)18(16-5-7-17(20)8-6-16)13-21-19(4)9-11-22-12-10-19;1-14(2)15(3)19(16-9-11-17(20)12-10-16)13-21-18-7-5-4-6-8-18;1-13(2)14(3)17(12-21-16-7-9-23-10-8-16)15-5-6-19(22-4)18(20)11-15;1-13(2)15(4)18(12-21-17-7-9-22-10-8-17)16-6-5-14(3)19(20)11-16;1-12(2)18(22)15(11-21-8-6-13(3)7-9-21)14-4-5-16(19)17(20)10-14;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-12(2)17(21)14(11-20-8-4-3-5-9-20)13-6-7-15(18)16(19)10-13;1-12(2)13(3)17(10-19-16-8-9-20-11-16)14-4-6-15(18)7-5-14/h5-8,14,18-20,22H,3,9-13H2,1-2,4H3;5-8,14,18,21H,3,9-13H2,1-2,4H3;9-12,14,18-19,21H,3-8,13H2,1-2H3;5-6,11,13,16-17,21H,3,7-10,12H2,1-2,4H3;5-6,11,13,17-18,21H,4,7-10,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,14H,6-9,11H2,1-3H3;6-7,10,12,14H,3-5,8-9,11H2,1-2H3;4-7,12,16-17,19H,3,8-11H2,1-2H3/t18?,19?,20-;18-;19-;17-;18-;15-;2*14-;16-,17-/m000001000/s1
InChIKeyBHBQWOQRGUOPJG-UXOFLKKTSA-N
MW2848.94 g/mol
LogP39.48
Rot. Bonds53

About (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine

(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine (PubChem CID 157346898) has the molecular formula C165H238Cl7F5N10O9 and a molecular weight of 2848.94 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
PubChem CID157346898
Molecular FormulaC165H238Cl7F5N10O9
Molecular Weight2848.94 g/mol
Exact Mass2843.62
IUPAC Name(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine
SMILESC=C(C(C)C)[C@H](CNC1(C)CCOCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCC(OC)CC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCCCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C)c(F)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC)c(F)c1.C=C(C(C)C)[C@H](CN[C@H]1CCOC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C20H30ClNO.C19H28ClNO.C19H28ClN.C19H28FNO2.C19H28FNO.C18H25ClFNO.C17H24ClFN2O.C17H23ClFNO.C17H24ClNO/c1-14(2)15(3)20(16-5-7-17(21)8-6-16)13-22-18-9-11-19(23-4)12-10-18;1-14(2)15(3)18(16-5-7-17(20)8-6-16)13-21-19(4)9-11-22-12-10-19;1-14(2)15(3)19(16-9-11-17(20)12-10-16)13-21-18-7-5-4-6-8-18;1-13(2)14(3)17(12-21-16-7-9-23-10-8-16)15-5-6-19(22-4)18(20)11-15;1-13(2)15(4)18(12-21-17-7-9-22-10-8-17)16-6-5-14(3)19(20)11-16;1-12(2)18(22)15(11-21-8-6-13(3)7-9-21)14-4-5-16(19)17(20)10-14;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-12(2)17(21)14(11-20-8-4-3-5-9-20)13-6-7-15(18)16(19)10-13;1-12(2)13(3)17(10-19-16-8-9-20-11-16)14-4-6-15(18)7-5-14/h5-8,14,18-20,22H,3,9-13H2,1-2,4H3;5-8,14,18,21H,3,9-13H2,1-2,4H3;9-12,14,18-19,21H,3-8,13H2,1-2H3;5-6,11,13,16-17,21H,3,7-10,12H2,1-2,4H3;5-6,11,13,17-18,21H,4,7-10,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,14H,6-9,11H2,1-3H3;6-7,10,12,14H,3-5,8-9,11H2,1-2H3;4-7,12,16-17,19H,3,8-11H2,1-2H3/t18?,19?,20-;18-;19-;17-;18-;15-;2*14-;16-,17-/m000001000/s1
InChIKeyBHBQWOQRGUOPJG-UXOFLKKTSA-N
XLogP39.48
TPSA191.73 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds53
Heavy Atoms196
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002848.94
LogP ≤ 539.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-(4-chlorophenyl)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-4-methyl-1-(oxan-4-ylamino)-2-[4-(trifluoromethoxy)phenyl]pentan-3-one
CID 157068661
(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2S,6R)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methylphenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
CID 157482157
(2S)-2-(4-chloro-3-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chlorophenyl)-1-[(4-methoxycyclohexyl)amino]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-[(4-methyloxan-4-yl)amino]pentan-3-one;(2S)-2-(4-chlorophenyl)-4-methyl-1-[[(3S)-oxolan-3-yl]amino]pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(oxan-4-ylamino)pentan-3-one
CID 157498841
(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3,5-difluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one
CID 158101095
(2S)-2-(4-bromophenyl)-N-(cyclopropylmethyl)-N,4-dimethyl-3-methylidenepentan-1-amine;(2S,6R)-4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(2R,6S)-4-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-2,6-dimethylmorpholine;(3S,5R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(3R,5S)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-3,5-dimethylpiperazine;(2S)-1-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethyl)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;N-[(2S)-4-methyl-3-methylidene-2-[4-(trifluoromethoxy)phenyl]pentyl]oxan-4-amine
CID 158136734
(2S)-1-(4-acetylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-acetylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethylamino)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one
CID 158326102
(2R)-2-(4-chlorophenyl)-1-[4-(dimethylamino)piperidin-1-yl]-4-methylpentan-3-one;(2S)-2-(4-chlorophenyl)-1-[4-(dimethylamino)piperidin-1-yl]-4-methylpentan-3-one;(2R)-2-(4-chlorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylpentan-3-one;4-[(2R)-2-(4-chlorophenyl)-4-methyl-3-oxopentyl]piperazin-2-one;(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-2-(4-fluoro-3-methoxyphenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-4-methyl-2-[3-methyl-5-(trifluoromethyl)phenyl]-1-(propan-2-ylamino)pentan-3-one
CID 158486152
1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(3R)-1-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2S)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-1-(4-ethylpiperazin-1-yl)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one
CID 158874087
(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3,5-difluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one
CID 159265806
(2S)-1-amino-2-(3,4-dichlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2R)-2-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(oxan-4-ylamino)pentan-3-one;(2S)-2-(3,4-dichlorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2R)-2-(3-fluoro-4-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one
CID 159656859
(2S)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2R)-1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)-4-methylpentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-3-one;(2S)-2-(3,5-difluorophenyl)-4-methyl-1-(propan-2-ylamino)pentan-3-one;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-morpholin-4-ylpentan-3-one
CID 159805206
1-[(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-3-methylidenepentyl]-4-propan-2-ylpiperazine;(1R)-3-[(2R)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclopentan-1-amine;(3R)-1-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]pyrrolidin-3-amine;(2S)-2-(3,5-difluorophenyl)-4-methyl-3-methylidene-N-propan-2-ylpentan-1-amine;(2S)-1-[4-(dimethylamino)piperidin-1-yl]-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2S)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one;(2R)-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-methyl-1-piperidin-1-ylpentan-3-one
CID 159850262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine?
The IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine (CID 157346898) is (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine.
What is the SMILES notation for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine?
The canonical SMILES for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine is C=C(C(C)C)[C@H](CNC1(C)CCOCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCC(OC)CC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCCCC1)c1ccc(Cl)cc1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(C)c(F)c1.C=C(C(C)C)[C@H](CNC1CCOCC1)c1ccc(OC)c(F)c1.C=C(C(C)C)[C@H](CN[C@H]1CCOC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCCCC1)c1ccc(Cl)c(F)c1.CC(C)C(=O)[C@@H](CN1CCN(C)CC1)c1ccc(Cl)c(F)c1.CC1CCN(C[C@@H](C(=O)C(C)C)c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine?
The InChIKey is BHBQWOQRGUOPJG-UXOFLKKTSA-N. The full InChI is InChI=1S/C20H30ClNO.C19H28ClNO.C19H28ClN.C19H28FNO2.C19H28FNO.C18H25ClFNO.C17H24ClFN2O.C17H23ClFNO.C17H24ClNO/c1-14(2)15(3)20(16-5-7-17(21)8-6-16)13-22-18-9-11-19(23-4)12-10-18;1-14(2)15(3)18(16-5-7-17(20)8-6-16)13-21-19(4)9-11-22-12-10-19;1-14(2)15(3)19(16-9-11-17(20)12-10-16)13-21-18-7-5-4-6-8-18;1-13(2)14(3)17(12-21-16-7-9-23-10-8-16)15-5-6-19(22-4)18(20)11-15;1-13(2)15(4)18(12-21-17-7-9-22-10-8-17)16-6-5-14(3)19(20)11-16;1-12(2)18(22)15(11-21-8-6-13(3)7-9-21)14-4-5-16(19)17(20)10-14;1-12(2)17(22)14(11-21-8-6-20(3)7-9-21)13-4-5-15(18)16(19)10-13;1-12(2)17(21)14(11-20-8-4-3-5-9-20)13-6-7-15(18)16(19)10-13;1-12(2)13(3)17(10-19-16-8-9-20-11-16)14-4-6-15(18)7-5-14/h5-8,14,18-20,22H,3,9-13H2,1-2,4H3;5-8,14,18,21H,3,9-13H2,1-2,4H3;9-12,14,18-19,21H,3-8,13H2,1-2H3;5-6,11,13,16-17,21H,3,7-10,12H2,1-2,4H3;5-6,11,13,17-18,21H,4,7-10,12H2,1-3H3;4-5,10,12-13,15H,6-9,11H2,1-3H3;4-5,10,12,14H,6-9,11H2,1-3H3;6-7,10,12,14H,3-5,8-9,11H2,1-2H3;4-7,12,16-17,19H,3,8-11H2,1-2H3/t18?,19?,20-;18-;19-;17-;18-;15-;2*14-;16-,17-/m000001000/s1.
What are the key properties of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine?
(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine has a molecular weight of 2848.94 g/mol, XLogP of 39.48, 53 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-3-one;(2S)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-(4-methylpiperidin-1-yl)pentan-3-one;(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-piperidin-1-ylpentan-3-one;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]cyclohexanamine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methoxycyclohexan-1-amine;N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]-4-methyloxan-4-amine;(3S)-N-[(2S)-2-(4-chlorophenyl)-4-methyl-3-methylidenepentyl]oxolan-3-amine;N-[(2S)-2-(3-fluoro-4-methoxyphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine;N-[(2S)-2-(3-fluoro-4-methylphenyl)-4-methyl-3-methylidenepentyl]oxan-4-amine is sourced from PubChem (CID 157346898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).