1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

C17H25ClN2O — CID 2838553

IUPAC1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-6-5-11-19(13-15)12-14-7-9-16(18)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyFIBLKMIJVSJMCG-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.42
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 2838553) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID2838553
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-6-5-11-19(13-15)12-14-7-9-16(18)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3
InChIKeyFIBLKMIJVSJMCG-UHFFFAOYSA-N
XLogP3.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide (CID 2838553) is 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is FIBLKMIJVSJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-20(4-2)17(21)15-6-5-11-19(13-15)12-14-7-9-16(18)10-8-14/h7-10,15H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 308.85 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 2838553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).