(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

C21H23ClN2O3 — CID 42395615

IUPAC(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O3/c1-14-8-9-19(27-2)18(11-14)23-21(26)24-10-4-6-16(13-24)20(25)15-5-3-7-17(22)12-15/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyJEQAKKKLCPYPIS-MRXNPFEDSA-N
MW386.88 g/mol
LogP4.78
Rot. Bonds4

About (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide

(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (PubChem CID 42395615) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
PubChem CID42395615
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O3/c1-14-8-9-19(27-2)18(11-14)23-21(26)24-10-4-6-16(13-24)20(25)15-5-3-7-17(22)12-15/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyJEQAKKKLCPYPIS-MRXNPFEDSA-N
XLogP4.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3R)-N-(2,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)benzoyl]piperidine-1-carboxamide
CID 25297991
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(3-chlorophenyl)-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 23723447
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
CID 70315573
CID 70315573
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-1-carboxamide
CID 51856616

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide (CID 42395615) is (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is COc1ccc(C)cc1NC(=O)N1CCC[C@@H](C(=O)c2cccc(Cl)c2)C1.
What is the InChIKey of (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
The InChIKey is JEQAKKKLCPYPIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-14-8-9-19(27-2)18(11-14)23-21(26)24-10-4-6-16(13-24)20(25)15-5-3-7-17(22)12-15/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide?
(3R)-3-(3-chlorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 4.78, 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-(2-methoxy-5-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 42395615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).