1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide

C21H25ClN2O2 — CID 43919760

IUPAC1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-26-19-11-9-18(10-12-19)23-21(25)17-7-5-13-24(15-17)14-16-6-3-4-8-20(16)22/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3,(H,23,25)
InChIKeyJOIQHIGMNHQIGG-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.59
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide (PubChem CID 43919760) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
PubChem CID43919760
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-2-26-19-11-9-18(10-12-19)23-21(25)17-7-5-13-24(15-17)14-16-6-3-4-8-20(16)22/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3,(H,23,25)
InChIKeyJOIQHIGMNHQIGG-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 93491646
N-(4-butylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924997
1-[(2-chlorophenyl)methyl]-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925064
ethyl 2-chloro-4-[[(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 94025808
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
N-(4-bromo-3-methylphenyl)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43922053
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 93490651
(3S)-1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8745664
ethyl 2-[[(3R)-1-[(2-chlorophenyl)methyl]piperidine-3-carbonyl]amino]benzoate
CID 93490772
1-[(2-chlorophenyl)methyl]-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-3-carboxamide
CID 43922460

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide (CID 43919760) is 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide is CCOc1ccc(NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is JOIQHIGMNHQIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-26-19-11-9-18(10-12-19)23-21(25)17-7-5-13-24(15-17)14-16-6-3-4-8-20(16)22/h3-4,6,8-12,17H,2,5,7,13-15H2,1H3,(H,23,25).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43919760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).