3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

C58H66Cl2N6O3 — CID 160533406

IUPAC3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1C.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl
InChIInChI=1S/C20H24N2O.2C19H21ClN2O/c1-14-5-6-17(12-15(14)2)20(23)22-19-9-7-16(8-10-19)18-4-3-11-21-13-18;1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16/h5-10,12,18,21H,3-4,11,13H2,1-2H3,(H,22,23);2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t18-;2*16-/m111/s1
InChIKeyQVVPIUQBVOTRKK-OZCFXERQSA-N
MW966.11 g/mol
LogP12.76
Rot. Bonds9

About 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide

3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (PubChem CID 160533406) has the molecular formula C58H66Cl2N6O3 and a molecular weight of 966.11 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
PubChem CID160533406
Molecular FormulaC58H66Cl2N6O3
Molecular Weight966.11 g/mol
Exact Mass964.46
IUPAC Name3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1C.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl
InChIInChI=1S/C20H24N2O.2C19H21ClN2O/c1-14-5-6-17(12-15(14)2)20(23)22-19-9-7-16(8-10-19)18-4-3-11-21-13-18;1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16/h5-10,12,18,21H,3-4,11,13H2,1-2H3,(H,22,23);2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t18-;2*16-/m111/s1
InChIKeyQVVPIUQBVOTRKK-OZCFXERQSA-N
XLogP12.76
TPSA123.39 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.11
LogP ≤ 512.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide with MolForge

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Related Compounds

4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-(4-piperidin-3-ylphenyl)-4-propylbenzamide
CID 53251423
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
4-chloro-N-(4-fluorophenyl)-3-methylbenzamide
CID 122630273
4-[(3-chloro-4-methylbenzoyl)amino]benzoic acid
CID 28914625
5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
(4-chloro-3-methylphenyl)-piperidin-3-ylmethanone
CID 82341467

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide (CID 160533406) is 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is Cc1cc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)ccc1Cl.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1C.Cc1ccc(C(=O)Nc2ccc([C@@H]3CCCNC3)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
The InChIKey is QVVPIUQBVOTRKK-OZCFXERQSA-N. The full InChI is InChI=1S/C20H24N2O.2C19H21ClN2O/c1-14-5-6-17(12-15(14)2)20(23)22-19-9-7-16(8-10-19)18-4-3-11-21-13-18;1-13-11-15(6-9-18(13)20)19(23)22-17-7-4-14(5-8-17)16-3-2-10-21-12-16;1-13-4-5-15(11-18(13)20)19(23)22-17-8-6-14(7-9-17)16-3-2-10-21-12-16/h5-10,12,18,21H,3-4,11,13H2,1-2H3,(H,22,23);2*4-9,11,16,21H,2-3,10,12H2,1H3,(H,22,23)/t18-;2*16-/m111/s1.
What are the key properties of 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide?
3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide has a molecular weight of 966.11 g/mol, XLogP of 12.76, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;4-chloro-3-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide;3,4-dimethyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide is sourced from PubChem (CID 160533406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).