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

C21H25ClN2O2 — CID 53284530

IUPAC1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-2-26-20-8-4-7-19(14-20)23-21(25)17-9-11-24(12-10-17)15-16-5-3-6-18(22)13-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,23,25)
InChIKeyIIMXTLLRADKJBR-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.59
Rot. Bonds6

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

1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 53284530) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID53284530
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H25ClN2O2/c1-2-26-20-8-4-7-19(14-20)23-21(25)17-9-11-24(12-10-17)15-16-5-3-6-18(22)13-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,23,25)
InChIKeyIIMXTLLRADKJBR-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

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921689
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
1-[(3-ethoxyphenyl)methyl]-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 38098399
1-[(3-ethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 43920258
1-[(4-chlorophenyl)methylsulfonyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 28572806
1-[(3-chlorophenyl)methyl]-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 45008831
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide (CID 53284530) is 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide is CCOc1cccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is IIMXTLLRADKJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-2-26-20-8-4-7-19(14-20)23-21(25)17-9-11-24(12-10-17)15-16-5-3-6-18(22)13-16/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,23,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide?
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-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-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53284530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).