N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide

C175H200FN23O18 — CID 159354296

IUPACN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC(C)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC1(F)CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.O=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H34N4O3.C30H36N4O3.C29H32N4O3.2C29H34N4O3.C28H30FN3O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27;1-21(2)34-16-12-22(13-17-34)19-32-29(36)27-5-3-4-26(18-27)28(20-35)33-30(37)25-8-6-23(7-9-25)24-10-14-31-15-11-24;34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26;1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-20(2)33-16-12-26(13-17-33)31-29(36)25-5-3-4-24(18-25)27(19-34)32-28(35)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-28(29)13-9-24(10-14-28)31-27(35)23-4-2-3-22(17-23)25(18-33)32-26(34)21-7-5-19(6-8-21)20-11-15-30-16-12-20/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37);3-11,14-15,18,21-22,28,35H,12-13,16-17,19-20H2,1-2H3,(H,32,36)(H,33,37);1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35);3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36);3-11,14-15,18,20,26-27,34H,12-13,16-17,19H2,1-2H3,(H,31,36)(H,32,35);2-8,11-12,15-17,24-25,33H,9-10,13-14,18H2,1H3,(H,31,35)(H,32,34)/t2*28-;27-;26-;27-;24?,25-,28?/m111111/s1
InChIKeyLHSPLNBCMTUUDG-FDAJPAESSA-N
MW2932.67 g/mol
LogP23.55
Rot. Bonds49

About N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide

N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (PubChem CID 159354296) has the molecular formula C175H200FN23O18 and a molecular weight of 2932.67 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
PubChem CID159354296
Molecular FormulaC175H200FN23O18
Molecular Weight2932.67 g/mol
Exact Mass2930.54
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
SMILESCC(C)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC(C)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC1(F)CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.O=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1
InChIInChI=1S/C30H34N4O3.C30H36N4O3.C29H32N4O3.2C29H34N4O3.C28H30FN3O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27;1-21(2)34-16-12-22(13-17-34)19-32-29(36)27-5-3-4-26(18-27)28(20-35)33-30(37)25-8-6-23(7-9-25)24-10-14-31-15-11-24;34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26;1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-20(2)33-16-12-26(13-17-33)31-29(36)25-5-3-4-24(18-25)27(19-34)32-28(35)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-28(29)13-9-24(10-14-28)31-27(35)23-4-2-3-22(17-23)25(18-33)32-26(34)21-7-5-19(6-8-21)20-11-15-30-16-12-20/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37);3-11,14-15,18,21-22,28,35H,12-13,16-17,19-20H2,1-2H3,(H,32,36)(H,33,37);1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35);3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36);3-11,14-15,18,20,26-27,34H,12-13,16-17,19H2,1-2H3,(H,31,36)(H,32,35);2-8,11-12,15-17,24-25,33H,9-10,13-14,18H2,1H3,(H,31,35)(H,32,34)/t2*28-;27-;26-;27-;24?,25-,28?/m111111/s1
InChIKeyLHSPLNBCMTUUDG-FDAJPAESSA-N
XLogP23.55
TPSA564.12 Ų
H-Bond Donors18
H-Bond Acceptors29
Rotatable Bonds49
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.67
LogP ≤ 523.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1029

Analyze N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide with MolForge

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474962
N-[[3-[(dimethylamino)methyl]phenyl]methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474968
N-[(1-ethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134474986
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 134474997
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 134475008
N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134475009
N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134475011
N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 134475012
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 134475014
3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134475021
N-cyclopropyl-3-[(1R)-1-[[4-[2-[2-fluoro-4-[[[3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzoyl]amino]methyl]phenyl]-4-pyridinyl]benzoyl]amino]ethyl]benzamide
CID 134475072
N-[1-(2,2-difluoropropyl)piperidin-4-yl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide
CID 158915944

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide (CID 159354296) is N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is CC(C)N1CCC(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC(C)N1CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CC1(F)CCC(NC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.CN1CCC(C)(CNC(=O)c2cccc([C@@H](CO)NC(=O)c3ccc(-c4ccncc4)cc3)c2)CC1.O=C(NC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.O=C(NCC1CCN(C2CC2)CC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3ccncc3)cc2)c1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
The InChIKey is LHSPLNBCMTUUDG-FDAJPAESSA-N. The full InChI is InChI=1S/C30H34N4O3.C30H36N4O3.C29H32N4O3.2C29H34N4O3.C28H30FN3O3/c35-20-28(33-30(37)24-6-4-22(5-7-24)23-10-14-31-15-11-23)25-2-1-3-26(18-25)29(36)32-19-21-12-16-34(17-13-21)27-8-9-27;1-21(2)34-16-12-22(13-17-34)19-32-29(36)27-5-3-4-26(18-27)28(20-35)33-30(37)25-8-6-23(7-9-25)24-10-14-31-15-11-24;34-19-27(32-28(35)22-6-4-20(5-7-22)21-10-14-30-15-11-21)23-2-1-3-24(18-23)29(36)31-25-12-16-33(17-13-25)26-8-9-26;1-29(12-16-33(2)17-13-29)20-31-27(35)25-5-3-4-24(18-25)26(19-34)32-28(36)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-20(2)33-16-12-26(13-17-33)31-29(36)25-5-3-4-24(18-25)27(19-34)32-28(35)23-8-6-21(7-9-23)22-10-14-30-15-11-22;1-28(29)13-9-24(10-14-28)31-27(35)23-4-2-3-22(17-23)25(18-33)32-26(34)21-7-5-19(6-8-21)20-11-15-30-16-12-20/h1-7,10-11,14-15,18,21,27-28,35H,8-9,12-13,16-17,19-20H2,(H,32,36)(H,33,37);3-11,14-15,18,21-22,28,35H,12-13,16-17,19-20H2,1-2H3,(H,32,36)(H,33,37);1-7,10-11,14-15,18,25-27,34H,8-9,12-13,16-17,19H2,(H,31,36)(H,32,35);3-11,14-15,18,26,34H,12-13,16-17,19-20H2,1-2H3,(H,31,35)(H,32,36);3-11,14-15,18,20,26-27,34H,12-13,16-17,19H2,1-2H3,(H,31,36)(H,32,35);2-8,11-12,15-17,24-25,33H,9-10,13-14,18H2,1H3,(H,31,35)(H,32,34)/t2*28-;27-;26-;27-;24?,25-,28?/m111111/s1.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide?
N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide has a molecular weight of 2932.67 g/mol, XLogP of 23.55, 49 rotatable bonds, 18 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1-cyclopropylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;N-(4-fluoro-4-methylcyclohexyl)-3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-(1-propan-2-ylpiperidin-4-yl)benzamide;3-[(1S)-2-hydroxy-1-[(4-pyridin-4-ylbenzoyl)amino]ethyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 159354296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).