(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

C23H28ClN3O2 — CID 95094149

IUPAC(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-6-18(7-5-17)15-25-22(28)13-8-19-3-2-14-27(16-19)23(29)26-21-11-9-20(24)10-12-21/h4-7,9-12,19H,2-3,8,13-16H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyCITDHSMWPVKXSF-IBGZPJMESA-N
MW413.95 g/mol
LogP4.99
Rot. Bonds6

About (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide

(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (PubChem CID 95094149) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
PubChem CID95094149
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-6-18(7-5-17)15-25-22(28)13-8-19-3-2-14-27(16-19)23(29)26-21-11-9-20(24)10-12-21/h4-7,9-12,19H,2-3,8,13-16H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1
InChIKeyCITDHSMWPVKXSF-IBGZPJMESA-N
XLogP4.99
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-(2-pyrrolidin-1-ylethylamino)propyl]piperidine-1-carboxamide
CID 95093850
(3S)-3-[3-(2-methoxyethylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 95093800
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide (CID 95094149) is (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is Cc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
The InChIKey is CITDHSMWPVKXSF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17-4-6-18(7-5-17)15-25-22(28)13-8-19-3-2-14-27(16-19)23(29)26-21-11-9-20(24)10-12-21/h4-7,9-12,19H,2-3,8,13-16H2,1H3,(H,25,28)(H,26,29)/t19-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide?
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95094149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).