N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide

C13H18FN3O — CID 28802293

IUPACN-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-16(10-11-3-2-4-12(14)9-11)13(18)17-7-5-15-6-8-17/h2-4,9,15H,5-8,10H2,1H3
InChIKeyXADSAKKXDDRQPI-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.28
Rot. Bonds2

About N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide

N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide (PubChem CID 28802293) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
PubChem CID28802293
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
SMILESCN(Cc1cccc(F)c1)C(=O)N1CCNCC1
InChIInChI=1S/C13H18FN3O/c1-16(10-11-3-2-4-12(14)9-11)13(18)17-7-5-15-6-8-17/h2-4,9,15H,5-8,10H2,1H3
InChIKeyXADSAKKXDDRQPI-UHFFFAOYSA-N
XLogP1.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-N-methylpiperazine-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

4-[[methyl(piperazine-1-carbonyl)amino]methyl]benzoic acid
CID 61405190
N-methyl-N-(1H-pyrrol-3-ylmethyl)piperazine-1-carboxamide
CID 115171585
3-tert-butyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-piperazin-1-ylbenzamide
CID 70645846
N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 115171586
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
1-(1,4-diazepan-1-yl)-4-(3-fluorophenyl)-3-methylbutan-1-one
CID 119418218
1-[(3-fluorophenyl)methyl-methylcarbamoyl]piperidine-2-carboxylic acid
CID 61200560
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556
2,2-difluoro-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 103600519
3-[(3-bromophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980775

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide (CID 28802293) is N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide is CN(Cc1cccc(F)c1)C(=O)N1CCNCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide?
The InChIKey is XADSAKKXDDRQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-16(10-11-3-2-4-12(14)9-11)13(18)17-7-5-15-6-8-17/h2-4,9,15H,5-8,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide has a molecular weight of 251.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 28802293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).