(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

C23H28ClN3O2 — CID 95094139

IUPAC(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C23H28ClN3O2/c1-17(19-7-3-2-4-8-19)25-22(28)14-9-18-6-5-15-27(16-18)23(29)26-21-12-10-20(24)11-13-21/h2-4,7-8,10-13,17-18H,5-6,9,14-16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m0/s1
InChIKeyWSRDJGWHRXVHRE-ZWKOTPCHSA-N
MW413.95 g/mol
LogP5.24
Rot. Bonds6

About (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide

(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (PubChem CID 95094139) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
PubChem CID95094139
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C23H28ClN3O2/c1-17(19-7-3-2-4-8-19)25-22(28)14-9-18-6-5-15-27(16-18)23(29)26-21-12-10-20(24)11-13-21/h2-4,7-8,10-13,17-18H,5-6,9,14-16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m0/s1
InChIKeyWSRDJGWHRXVHRE-ZWKOTPCHSA-N
XLogP5.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-(3-methylphenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95093939
(3S)-N-(3-fluorophenyl)-3-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094000
(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 95094157
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3R)-3-[3-(benzylamino)-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094068
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
(3R)-3-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 95093947
N-(4-chlorophenyl)-4-(1-phenylethyl)piperazine-1-carboxamide
CID 46100821
3-[3-(cycloheptylamino)-3-oxopropyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 53138024

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide (CID 95094139) is (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is C[C@H](NC(=O)CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
The InChIKey is WSRDJGWHRXVHRE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-17(19-7-3-2-4-8-19)25-22(28)14-9-18-6-5-15-27(16-18)23(29)26-21-12-10-20(24)11-13-21/h2-4,7-8,10-13,17-18H,5-6,9,14-16H2,1H3,(H,25,28)(H,26,29)/t17-,18+/m0/s1.
What are the key properties of (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide?
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide has a molecular weight of 413.95 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide is sourced from PubChem (CID 95094139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).