1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

C13H16Cl2N2O — CID 6456279

IUPAC1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)
InChIKeyAVDQZGGUVJXHCZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.69
Rot. Bonds3

About 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide

1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 6456279) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID6456279
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)
InChIKeyAVDQZGGUVJXHCZ-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
CID 99785633
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
N-[(4-chlorophenyl)methyl]-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43920949
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
N-(2-carbamoylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 43926199
(3R)-1-[[4-(dimethylamino)phenyl]methyl]piperidine-3-carboxamide
CID 26458213
1-[(3,4-dichlorophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431874
1-[(3,4-dichlorophenyl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 43924672
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
1-[(3,4-dichlorophenyl)methyl]-N-pentylpiperidine-3-carboxamide
CID 43924572

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide (CID 6456279) is 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is AVDQZGGUVJXHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-17-5-1-2-10(8-17)13(16)18/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18).
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide?
1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 6456279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).