(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

C20H21ClN2O3 — CID 25385725

IUPAC(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-9-7-17(8-10-18)22-20(25)23-11-3-5-15(13-23)19(24)14-4-2-6-16(21)12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVFMFIDDQYCJCOQ-OAHLLOKOSA-N
MW372.85 g/mol
LogP4.48
Rot. Bonds4

About (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide

(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 25385725) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
PubChem CID25385725
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-9-7-17(8-10-18)22-20(25)23-11-3-5-15(13-23)19(24)14-4-2-6-16(21)12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyVFMFIDDQYCJCOQ-OAHLLOKOSA-N
XLogP4.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
CID 42395615
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
CID 70315573
CID 70315573
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide (CID 25385725) is (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is VFMFIDDQYCJCOQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-9-7-17(8-10-18)22-20(25)23-11-3-5-15(13-23)19(24)14-4-2-6-16(21)12-14/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide?
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 25385725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).