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

C13H17ClN2O — CID 3889228

IUPAC1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17)
InChIKeyPPPNJNWYRALNPX-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.04
Rot. Bonds3

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

1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3889228) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3889228
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17)
InChIKeyPPPNJNWYRALNPX-UHFFFAOYSA-N
XLogP2.04
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
1-[[4-(aminomethyl)-2-chlorophenyl]methyl]piperidine-4-carboxamide
CID 102662708
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
1-[(4-carbamothioyl-2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 102666009
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
1-[(2,6-dichloro-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 104969517
1-[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 45019892
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide (CID 3889228) is 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is PPPNJNWYRALNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-4-2-1-3-11(12)9-16-7-5-10(6-8-16)13(15)17/h1-4,10H,5-9H2,(H2,15,17).
What are the key properties of 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide?
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3889228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).