1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide

C20H21ClN2O3 — CID 119059320

IUPAC1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-7-6-16(21)12-17(18)13-2-4-15(5-3-13)20(25)23-10-8-14(9-11-23)19(22)24/h2-7,12,14H,8-11H2,1H3,(H2,22,24)
InChIKeyBFEGNDYTYLFXSV-UHFFFAOYSA-N
MW372.85 g/mol
LogP3.35
Rot. Bonds4

About 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide

1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide (PubChem CID 119059320) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
PubChem CID119059320
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C20H21ClN2O3/c1-26-18-7-6-16(21)12-17(18)13-2-4-15(5-3-13)20(25)23-10-8-14(9-11-23)19(22)24/h2-7,12,14H,8-11H2,1H3,(H2,22,24)
InChIKeyBFEGNDYTYLFXSV-UHFFFAOYSA-N
XLogP3.35
TPSA72.63 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-3-phenylbenzoyl)piperidine-4-carboxamide
CID 49316648
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(3S)-1-[3-(5-chloro-2-methoxyphenyl)benzoyl]-N-methylpyrrolidine-3-carboxamide
CID 125169662
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
1-[4-(2-methoxyphenyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 134802123
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
N-(4-carbamoylphenyl)-1-(5-chloro-2-methoxybenzoyl)-N-methylpiperidine-4-carboxamide
CID 55903833
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
N-(3-chloro-4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007389
1-[(5-chloro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 9443435

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide (CID 119059320) is 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1-c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is BFEGNDYTYLFXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-7-6-16(21)12-17(18)13-2-4-15(5-3-13)20(25)23-10-8-14(9-11-23)19(22)24/h2-7,12,14H,8-11H2,1H3,(H2,22,24).
What are the key properties of 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide?
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 119059320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).