(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide

C21H30ClN3O2 — CID 95094157

IUPAC(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCCCC1
InChIInChI=1S/C21H30ClN3O2/c22-18-8-10-19(11-9-18)23-21(27)25-15-5-6-17(16-25)7-12-20(26)24-13-3-1-2-4-14-24/h8-11,17H,1-7,12-16H2,(H,23,27)/t17-/m1/s1
InChIKeyGOAQPHIKWWXDIR-QGZVFWFLSA-N
MW391.94 g/mol
LogP4.77
Rot. Bonds4

About (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide

(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide (PubChem CID 95094157) has the molecular formula C21H30ClN3O2 and a molecular weight of 391.94 g/mol. Its IUPAC name is (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
PubChem CID95094157
Molecular FormulaC21H30ClN3O2
Molecular Weight391.94 g/mol
Exact Mass391.20
IUPAC Name(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCCCC1
InChIInChI=1S/C21H30ClN3O2/c22-18-8-10-19(11-9-18)23-21(27)25-15-5-6-17(16-25)7-12-20(26)24-13-3-1-2-4-14-24/h8-11,17H,1-7,12-16H2,(H,23,27)/t17-/m1/s1
InChIKeyGOAQPHIKWWXDIR-QGZVFWFLSA-N
XLogP4.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.94
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(4-chlorophenyl)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-1-carboxamide
CID 93072696
(3R)-N-(4-methylphenyl)-3-(3-oxo-3-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 95056824
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034
(3R)-N-(4-methylphenyl)-3-(3-morpholin-4-yl-3-oxopropyl)piperidine-1-carboxamide
CID 95093847
(3S)-N-(4-chlorophenyl)-3-[3-(furan-2-ylmethylamino)-3-oxopropyl]piperidine-1-carboxamide
CID 95094155
(3S)-N-(4-chlorophenyl)-3-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 95094149
(3R)-N-(4-chlorophenyl)-3-[3-oxo-3-[[(1S)-1-phenylethyl]amino]propyl]piperidine-1-carboxamide
CID 95094139
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3S)-3-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-phenylpiperidine-1-carboxamide
CID 95094105
3-(2-aminoethyl)-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 63766361
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide (CID 95094157) is (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide is O=C(CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCCCCC1.
What is the InChIKey of (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is GOAQPHIKWWXDIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30ClN3O2/c22-18-8-10-19(11-9-18)23-21(27)25-15-5-6-17(16-25)7-12-20(26)24-13-3-1-2-4-14-24/h8-11,17H,1-7,12-16H2,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide?
(3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 391.94 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(azepan-1-yl)-3-oxopropyl]-N-(4-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 95094157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).