1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide

C13H16ClFN2O — CID 75514745

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c14-10-5-4-9(7-11(10)15)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8H2,(H2,16,18)
InChIKeySOVJOOUTXSDIGN-UHFFFAOYSA-N
MW270.73 g/mol
LogP2.32
Rot. Bonds3

About 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide

1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide (PubChem CID 75514745) has the molecular formula C13H16ClFN2O and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
PubChem CID75514745
Molecular FormulaC13H16ClFN2O
Molecular Weight270.73 g/mol
Exact Mass270.09
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H16ClFN2O/c14-10-5-4-9(7-11(10)15)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8H2,(H2,16,18)
InChIKeySOVJOOUTXSDIGN-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-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-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(3-carbamothioyl-4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 107879282
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[(3-chloro-4-fluorophenyl)methyl]-N'-hydroxypiperidine-2-carboximidamide
CID 102978042
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanamine
CID 115311652
2-(2-bromoethyl)-1-[(4-chloro-3-fluorophenyl)methyl]piperidine
CID 107887471
1-[(4-amino-2-fluorophenyl)methyl]piperidine-2-carboxamide
CID 64770224
(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 96661922
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide (CID 75514745) is 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide?
The InChIKey is SOVJOOUTXSDIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFN2O/c14-10-5-4-9(7-11(10)15)8-17-6-2-1-3-12(17)13(16)18/h4-5,7,12H,1-3,6,8H2,(H2,16,18).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide?
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide has a molecular weight of 270.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 75514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).