(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

C140H287N27O9 — CID 159545741

IUPAC(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)N1CCC(C(=O)N(C)CCCN(C)C)CC1.CC(C)[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCC(N2CCCC2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)NCC(C)(C)CN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCN(C)C)N(C)C(C)C
InChIInChI=1S/C20H33N3O.C18H35N3O.C16H33N3O.C16H35N3O.C15H31N3O.C14H29N3O.2C14H31N3O.C13H29N3O/c1-16(2)19(21(5)17(3)4)20(24)23-13-11-22(12-14-23)15-18-9-7-6-8-10-18;1-14(2)17(19(5)15(3)4)18(22)21-12-8-16(9-13-21)20-10-6-7-11-20;1-12(2)15(18(6)13(3)4)16(20)19(7)14-8-10-17(5)11-9-14;1-12(2)14(19(9)13(3)4)15(20)17-10-16(5,6)11-18(7)8;1-13(2)18-11-7-14(8-12-18)15(19)17(5)10-6-9-16(3)4;1-11(2)13(16(6)12(3)4)14(18)17-9-7-15(5)8-10-17;1-11(2)13(17(8)12(3)4)14(18)16(7)10-9-15(5)6;1-11(2)13(17(7)12(3)4)14(18)15-9-8-10-16(5)6;1-10(2)12(16(7)11(3)4)13(17)14-8-9-15(5)6/h6-10,16-17,19H,11-15H2,1-5H3;14-17H,6-13H2,1-5H3;12-15H,8-11H2,1-7H3;12-14H,10-11H2,1-9H3,(H,17,20);13-14H,6-12H2,1-5H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;11-13H,8-10H2,1-7H3,(H,15,18);10-12H,8-9H2,1-7H3,(H,14,17)/t19-;17-;15-;14-;;3*13-;12-/m1111.1111/s1
InChIKeyMETVARPZYBOAOW-KZAMTSGPSA-N
MW2493.02 g/mol
LogP15.55
Rot. Bonds56

About (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one

(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (PubChem CID 159545741) has the molecular formula C140H287N27O9 and a molecular weight of 2493.02 g/mol. Its IUPAC name is (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
PubChem CID159545741
Molecular FormulaC140H287N27O9
Molecular Weight2493.02 g/mol
Exact Mass2491.28
IUPAC Name(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
SMILESCC(C)N1CCC(C(=O)N(C)CCCN(C)C)CC1.CC(C)[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCC(N2CCCC2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)NCC(C)(C)CN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCN(C)C)N(C)C(C)C
InChIInChI=1S/C20H33N3O.C18H35N3O.C16H33N3O.C16H35N3O.C15H31N3O.C14H29N3O.2C14H31N3O.C13H29N3O/c1-16(2)19(21(5)17(3)4)20(24)23-13-11-22(12-14-23)15-18-9-7-6-8-10-18;1-14(2)17(19(5)15(3)4)18(22)21-12-8-16(9-13-21)20-10-6-7-11-20;1-12(2)15(18(6)13(3)4)16(20)19(7)14-8-10-17(5)11-9-14;1-12(2)14(19(9)13(3)4)15(20)17-10-16(5,6)11-18(7)8;1-13(2)18-11-7-14(8-12-18)15(19)17(5)10-6-9-16(3)4;1-11(2)13(16(6)12(3)4)14(18)17-9-7-15(5)8-10-17;1-11(2)13(17(8)12(3)4)14(18)16(7)10-9-15(5)6;1-11(2)13(17(7)12(3)4)14(18)15-9-8-10-16(5)6;1-10(2)12(16(7)11(3)4)13(17)14-8-9-15(5)6/h6-10,16-17,19H,11-15H2,1-5H3;14-17H,6-13H2,1-5H3;12-15H,8-11H2,1-7H3;12-14H,10-11H2,1-9H3,(H,17,20);13-14H,6-12H2,1-5H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;11-13H,8-10H2,1-7H3,(H,15,18);10-12H,8-9H2,1-7H3,(H,14,17)/t19-;17-;15-;14-;;3*13-;12-/m1111.1111/s1
InChIKeyMETVARPZYBOAOW-KZAMTSGPSA-N
XLogP15.55
TPSA267.48 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds56
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002493.02
LogP ≤ 515.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-(4-benzylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)propan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-(propan-2-ylamino)butanamide;(2R)-N-[3-(dimethylamino)propyl]-N,3-dimethyl-2-(propan-2-ylamino)butanamide;N-[3-(dimethylamino)propyl]-2-methyl-2-(propan-2-ylamino)propanamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)butanamide;N,2-dimethyl-N-(1-methylpiperidin-4-yl)-2-(propan-2-ylamino)propanamide;(2R)-3-methyl-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-(propan-2-ylamino)butanamide
CID 157166692
3-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]propanamide
CID 109016894
N-benzyl-1-[1-(2-chloroacetyl)piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 42693619
N-benzyl-N-methyl-1-[1-[(3R)-3,5,5-trimethylhexanoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 93016800
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
3-[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-N,N-dimethylpropan-1-amine
CID 21109896
1-(1-benzylpiperidin-4-yl)-N-ethyl-N-methylpiperidine-3-carboxamide
CID 45171529
N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-4-cyclopropylpiperazine-1-carboxamide
CID 75420102
3-benzyl-N-[3-(dimethylamino)propyl]-1,2,4,4a,5,7-hexahydropyrazino[1,2-a][1,4]benzodiazepine-6-carboxamide
CID 67001787
(3R)-N-[2-(dimethylamino)ethyl]-N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557690
4-[(2-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106248
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
CID 23724208

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The IUPAC name of (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one (CID 159545741) is (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one.
What is the SMILES notation for (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The canonical SMILES for (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is CC(C)N1CCC(C(=O)N(C)CCCN(C)C)CC1.CC(C)[C@H](C(=O)N(C)C1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N(C)CCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCC(N2CCCC2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(C)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)N(C)C(C)C.CC(C)[C@H](C(=O)NCC(C)(C)CN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCCN(C)C)N(C)C(C)C.CC(C)[C@H](C(=O)NCCN(C)C)N(C)C(C)C.
What is the InChIKey of (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
The InChIKey is METVARPZYBOAOW-KZAMTSGPSA-N. The full InChI is InChI=1S/C20H33N3O.C18H35N3O.C16H33N3O.C16H35N3O.C15H31N3O.C14H29N3O.2C14H31N3O.C13H29N3O/c1-16(2)19(21(5)17(3)4)20(24)23-13-11-22(12-14-23)15-18-9-7-6-8-10-18;1-14(2)17(19(5)15(3)4)18(22)21-12-8-16(9-13-21)20-10-6-7-11-20;1-12(2)15(18(6)13(3)4)16(20)19(7)14-8-10-17(5)11-9-14;1-12(2)14(19(9)13(3)4)15(20)17-10-16(5,6)11-18(7)8;1-13(2)18-11-7-14(8-12-18)15(19)17(5)10-6-9-16(3)4;1-11(2)13(16(6)12(3)4)14(18)17-9-7-15(5)8-10-17;1-11(2)13(17(8)12(3)4)14(18)16(7)10-9-15(5)6;1-11(2)13(17(7)12(3)4)14(18)15-9-8-10-16(5)6;1-10(2)12(16(7)11(3)4)13(17)14-8-9-15(5)6/h6-10,16-17,19H,11-15H2,1-5H3;14-17H,6-13H2,1-5H3;12-15H,8-11H2,1-7H3;12-14H,10-11H2,1-9H3,(H,17,20);13-14H,6-12H2,1-5H3;11-13H,7-10H2,1-6H3;11-13H,9-10H2,1-8H3;11-13H,8-10H2,1-7H3,(H,15,18);10-12H,8-9H2,1-7H3,(H,14,17)/t19-;17-;15-;14-;;3*13-;12-/m1111.1111/s1.
What are the key properties of (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one?
(2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one has a molecular weight of 2493.02 g/mol, XLogP of 15.55, 56 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-benzylpiperazin-1-yl)-3-methyl-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-N,3-dimethyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[2-(dimethylamino)ethyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;(2R)-N-[3-(dimethylamino)propyl]-3-methyl-2-[methyl(propan-2-yl)amino]butanamide;N-[3-(dimethylamino)propyl]-N-methyl-1-propan-2-ylpiperidine-4-carboxamide;(2R)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)-2-[methyl(propan-2-yl)amino]butanamide;(2R)-3-methyl-1-(4-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]butan-1-one;(2R)-3-methyl-2-[methyl(propan-2-yl)amino]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one is sourced from PubChem (CID 159545741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).