1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

C21H23ClN2O4 — CID 1072822

IUPAC1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-15-7-8-19(28-2)18(13-15)23-20(25)14-9-11-24(12-10-14)21(26)16-5-3-4-6-17(16)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyUETYSXPQRLAFRE-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.85
Rot. Bonds5

About 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide

1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (PubChem CID 1072822) has the molecular formula C21H23ClN2O4 and a molecular weight of 402.88 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
PubChem CID1072822
Molecular FormulaC21H23ClN2O4
Molecular Weight402.88 g/mol
Exact Mass402.13
IUPAC Name1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1
InChIInChI=1S/C21H23ClN2O4/c1-27-15-7-8-19(28-2)18(13-15)23-20(25)14-9-11-24(12-10-14)21(26)16-5-3-4-6-17(16)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyUETYSXPQRLAFRE-UHFFFAOYSA-N
XLogP3.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorobenzoyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17223356
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075
N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935911
1-butanoyl-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 113007690
N-(2-chlorophenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007109
1-(2-amino-2-oxoethyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 16909214
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
N-(2,5-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 653950
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 1326323

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide (CID 1072822) is 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)c1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is UETYSXPQRLAFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O4/c1-27-15-7-8-19(28-2)18(13-15)23-20(25)14-9-11-24(12-10-14)21(26)16-5-3-4-6-17(16)22/h3-8,13-14H,9-12H2,1-2H3,(H,23,25).
What are the key properties of 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide?
1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 402.88 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorobenzoyl)-N-(2,5-dimethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 1072822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).