1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide

C14H20ClN3O — CID 103194575

IUPAC1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(CN)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)11-3-2-6-18(9-11)12-5-4-10(8-16)13(15)7-12/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyOVTLJHIPPJVVNP-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.76
Rot. Bonds3

About 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide

1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194575) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194575
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(CN)c(Cl)c2)C1
InChIInChI=1S/C14H20ClN3O/c1-17-14(19)11-3-2-6-18(9-11)12-5-4-10(8-16)13(15)7-12/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19)
InChIKeyOVTLJHIPPJVVNP-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-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-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
1-(4-carbamothioyl-3-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 103195931
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
1-[4-(aminomethyl)-3-chlorophenyl]pyrrolidine-3,4-diol
CID 106667722
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
2-[1-[4-(aminomethyl)-3-chlorophenyl]piperidin-4-yl]acetamide
CID 62944524
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
CID 166604954
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide (CID 103194575) is 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(CN)c(Cl)c2)C1.
What is the InChIKey of 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is OVTLJHIPPJVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17-14(19)11-3-2-6-18(9-11)12-5-4-10(8-16)13(15)7-12/h4-5,7,11H,2-3,6,8-9,16H2,1H3,(H,17,19).
What are the key properties of 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide?
1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-3-chlorophenyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).