(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

C119H173Cl4F5N10O11 — CID 158486152

IUPAC(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
SMILESCC(C)C(=O)[C@@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.COc1cc([C@@H](CNC(C)C)C(=O)C(C)C)ccc1F.COc1ccc([C@@H](CNC(C)C)C(=O)C(C)C)cc1F.Cc1cc(C(CNC(C)C)C(=O)C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/2C19H29ClN2O.C17H24F3NO.C16H21ClN2O2.C16H22ClNO2.2C16H24FNO2/c2*1-14(2)19(23)18(15-5-7-16(20)8-6-15)13-22-11-9-17(10-12-22)21(3)4;1-10(2)16(22)15(9-21-11(3)4)13-6-12(5)7-14(8-13)17(18,19)20;1-11(2)16(21)14(12-3-5-13(17)6-4-12)9-19-8-7-18-15(20)10-19;1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-15(20-5)14(17)8-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-14(17)15(8-12)20-5/h2*5-8,14,17-18H,9-13H2,1-4H3;6-8,10-11,15,21H,9H2,1-5H3;3-6,11,14H,7-10H2,1-2H3,(H,18,20);3-6,11,14-15,19H,7-10H2,1-2H3;2*6-8,10-11,13,18H,9H2,1-5H3/t2*18-;;14-;14-,15+;2*13-/m10.0111/s1
InChIKeyHICVBVZSRNXCEN-NEFPDCEVSA-N
MW2156.55 g/mol
LogP22.75
Rot. Bonds42

About (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

(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 (PubChem CID 158486152) has the molecular formula C119H173Cl4F5N10O11 and a molecular weight of 2156.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158486152
Molecular FormulaC119H173Cl4F5N10O11
Molecular Weight2156.55 g/mol
Exact Mass2153.20
IUPAC Name(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
SMILESCC(C)C(=O)[C@@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.COc1cc([C@@H](CNC(C)C)C(=O)C(C)C)ccc1F.COc1ccc([C@@H](CNC(C)C)C(=O)C(C)C)cc1F.Cc1cc(C(CNC(C)C)C(=O)C(C)C)cc(C(F)(F)F)c1
InChIInChI=1S/2C19H29ClN2O.C17H24F3NO.C16H21ClN2O2.C16H22ClNO2.2C16H24FNO2/c2*1-14(2)19(23)18(15-5-7-16(20)8-6-15)13-22-11-9-17(10-12-22)21(3)4;1-10(2)16(22)15(9-21-11(3)4)13-6-12(5)7-14(8-13)17(18,19)20;1-11(2)16(21)14(12-3-5-13(17)6-4-12)9-19-8-7-18-15(20)10-19;1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-15(20-5)14(17)8-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-14(17)15(8-12)20-5/h2*5-8,14,17-18H,9-13H2,1-4H3;6-8,10-11,15,21H,9H2,1-5H3;3-6,11,14H,7-10H2,1-2H3,(H,18,20);3-6,11,14-15,19H,7-10H2,1-2H3;2*6-8,10-11,13,18H,9H2,1-5H3/t2*18-;;14-;14-,15+;2*13-/m10.0111/s1
InChIKeyHICVBVZSRNXCEN-NEFPDCEVSA-N
XLogP22.75
TPSA242.81 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds42
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002156.55
LogP ≤ 522.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C(=O)[C@@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CCNC(=O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@@H](CN1CC[C@@H](O)C1)c1ccc(Cl)cc1.CC(C)C(=O)[C@H](CN1CCC(N(C)C)CC1)c1ccc(Cl)cc1.COc1cc([C@@H](CNC(C)C)C(=O)C(C)C)ccc1F.COc1ccc([C@@H](CNC(C)C)C(=O)C(C)C)cc1F.Cc1cc(C(CNC(C)C)C(=O)C(C)C)cc(C(F)(F)F)c1.
What is the InChIKey of (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?
The InChIKey is HICVBVZSRNXCEN-NEFPDCEVSA-N. The full InChI is InChI=1S/2C19H29ClN2O.C17H24F3NO.C16H21ClN2O2.C16H22ClNO2.2C16H24FNO2/c2*1-14(2)19(23)18(15-5-7-16(20)8-6-15)13-22-11-9-17(10-12-22)21(3)4;1-10(2)16(22)15(9-21-11(3)4)13-6-12(5)7-14(8-13)17(18,19)20;1-11(2)16(21)14(12-3-5-13(17)6-4-12)9-19-8-7-18-15(20)10-19;1-11(2)16(20)15(10-18-8-7-14(19)9-18)12-3-5-13(17)6-4-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-15(20-5)14(17)8-12;1-10(2)16(19)13(9-18-11(3)4)12-6-7-14(17)15(8-12)20-5/h2*5-8,14,17-18H,9-13H2,1-4H3;6-8,10-11,15,21H,9H2,1-5H3;3-6,11,14H,7-10H2,1-2H3,(H,18,20);3-6,11,14-15,19H,7-10H2,1-2H3;2*6-8,10-11,13,18H,9H2,1-5H3/t2*18-;;14-;14-,15+;2*13-/m10.0111/s1.
What are the key properties of (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?
(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 has a molecular weight of 2156.55 g/mol, XLogP of 22.75, 42 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158486152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).