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

C23H28ClN3O2 — CID 95093947

IUPAC(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-2-6-21(14-17)26-23(29)27-13-3-5-19(16-27)9-12-22(28)25-15-18-7-10-20(24)11-8-18/h2,4,6-8,10-11,14,19H,3,5,9,12-13,15-16H2,1H3,(H,25,28)(H,26,29)/t19-/m1/s1
InChIKeySJIJPJJYQJOGDU-LJQANCHMSA-N
MW413.95 g/mol
LogP4.99
Rot. Bonds6

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

(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 95093947) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID95093947
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C23H28ClN3O2/c1-17-4-2-6-21(14-17)26-23(29)27-13-3-5-19(16-27)9-12-22(28)25-15-18-7-10-20(24)11-8-18/h2,4,6-8,10-11,14,19H,3,5,9,12-13,15-16H2,1H3,(H,25,28)(H,26,29)/t19-/m1/s1
InChIKeySJIJPJJYQJOGDU-LJQANCHMSA-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

(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3S)-N-(3-fluorophenyl)-3-[3-[(3-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95093981
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
(3S)-N-(3-fluorophenyl)-3-[3-[(4-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094017
N-(4-fluorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138066
N-(3-methylphenyl)-3-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidine-1-carboxamide
CID 53138083
(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939
(3S)-N-(4-methylphenyl)-3-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]piperidine-1-carboxamide
CID 95093828
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3R)-3-[3-[[4-(dimethylamino)phenyl]methylamino]-3-oxopropyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95093926
(3R)-3-[(butanoylamino)methyl]-N-(3-ethylphenyl)piperidine-1-carboxamide
CID 95297467
3-[3-[(2,4-difluorophenyl)methylamino]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 53138155

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 95093947) is (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCC[C@H](CCC(=O)NCc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is SJIJPJJYQJOGDU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17-4-2-6-21(14-17)26-23(29)27-13-3-5-19(16-27)9-12-22(28)25-15-18-7-10-20(24)11-8-18/h2,4,6-8,10-11,14,19H,3,5,9,12-13,15-16H2,1H3,(H,25,28)(H,26,29)/t19-/m1/s1.
What are the key properties of (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide?
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)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 (3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95093947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).