(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide

C26H26ClN3O2 — CID 92872490

IUPAC(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C26H26ClN3O2/c27-23-11-13-24(14-12-23)29-26(32)30-15-5-10-22(18-30)20-8-4-9-21(16-20)25(31)28-17-19-6-2-1-3-7-19/h1-4,6-9,11-14,16,22H,5,10,15,17-18H2,(H,28,31)(H,29,32)/t22-/m0/s1
InChIKeyBUILMBTXWLRGFR-QFIPXVFZSA-N
MW447.97 g/mol
LogP5.68
Rot. Bonds5

About (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide

(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 92872490) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID92872490
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C26H26ClN3O2/c27-23-11-13-24(14-12-23)29-26(32)30-15-5-10-22(18-30)20-8-4-9-21(16-20)25(31)28-17-19-6-2-1-3-7-19/h1-4,6-9,11-14,16,22H,5,10,15,17-18H2,(H,28,31)(H,29,32)/t22-/m0/s1
InChIKeyBUILMBTXWLRGFR-QFIPXVFZSA-N
XLogP5.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334138
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3S)-N-(4-chlorophenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872691
(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide (CID 92872490) is (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide is O=C(NCc1ccccc1)c1cccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is BUILMBTXWLRGFR-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c27-23-11-13-24(14-12-23)29-26(32)30-15-5-10-22(18-30)20-8-4-9-21(16-20)25(31)28-17-19-6-2-1-3-7-19/h1-4,6-9,11-14,16,22H,5,10,15,17-18H2,(H,28,31)(H,29,32)/t22-/m0/s1.
What are the key properties of (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 447.97 g/mol, XLogP of 5.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 92872490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).