N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide

C12H16ClN3O — CID 115171510

IUPACN-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O/c1-15(11-4-2-10(13)3-5-11)12(17)16-8-6-14-7-9-16/h2-5,14H,6-9H2,1H3
InChIKeyWGUZWWXWCVTJMP-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.80
Rot. Bonds1

About N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide

N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide (PubChem CID 115171510) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
PubChem CID115171510
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC NameN-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClN3O/c1-15(11-4-2-10(13)3-5-11)12(17)16-8-6-14-7-9-16/h2-5,14H,6-9H2,1H3
InChIKeyWGUZWWXWCVTJMP-UHFFFAOYSA-N
XLogP1.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide (CID 115171510) is N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide is CN(C(=O)N1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide?
The InChIKey is WGUZWWXWCVTJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-15(11-4-2-10(13)3-5-11)12(17)16-8-6-14-7-9-16/h2-5,14H,6-9H2,1H3.
What are the key properties of N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide?
N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide is sourced from PubChem (CID 115171510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).