N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide

C12H18N4O — CID 174500073

IUPACN-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
SMILESNCc1ccccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O/c13-9-10-3-1-2-4-11(10)15-12(17)16-7-5-14-6-8-16/h1-4,14H,5-9,13H2,(H,15,17)
InChIKeyQIUCOWKVCUDKRI-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds2

About N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide

N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide (PubChem CID 174500073) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
PubChem CID174500073
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
SMILESNCc1ccccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H18N4O/c13-9-10-3-1-2-4-11(10)15-12(17)16-7-5-14-6-8-16/h1-4,14H,5-9,13H2,(H,15,17)
InChIKeyQIUCOWKVCUDKRI-UHFFFAOYSA-N
XLogP0.58
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)phenyl]piperazine-1-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

3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
CID 107274027
N-[2-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 70416652
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
CID 62536138
N-[2-(4-chlorophenoxy)phenyl]piperazine-1-carboxamide
CID 162623805
N-[2-(aminomethyl)phenyl]spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carboxamide
CID 138017410
N-[2-(aminomethyl)phenyl]carbamoyl chloride
CID 142823786
N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 166204417
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide (CID 174500073) is N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide is NCc1ccccc1NC(=O)N1CCNCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is QIUCOWKVCUDKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-9-10-3-1-2-4-11(10)15-12(17)16-7-5-14-6-8-16/h1-4,14H,5-9,13H2,(H,15,17).
What are the key properties of N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide?
N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 174500073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).