N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

C13H18ClN3O — CID 65449046

IUPACN-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H18ClN3O/c1-10-8-17(6-5-15-10)9-13(18)16-12-4-2-3-11(14)7-12/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyOKJBWPPSFMVNSI-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.57
Rot. Bonds3

About N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide

N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (PubChem CID 65449046) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
PubChem CID65449046
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC NameN-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
SMILESCC1CN(CC(=O)Nc2cccc(Cl)c2)CCN1
InChIInChI=1S/C13H18ClN3O/c1-10-8-17(6-5-15-10)9-13(18)16-12-4-2-3-11(14)7-12/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyOKJBWPPSFMVNSI-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide 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

N-(3-chlorophenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976986
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924663
N-(4-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119924493
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
N-(3-chloro-4-methylphenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65448449
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(4-fluorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975542
N-(2-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 65450158
2-(3-methylpiperazin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119924470
1-[2-(3-chloroanilino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720544
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide (CID 65449046) is N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is CC1CN(CC(=O)Nc2cccc(Cl)c2)CCN1.
What is the InChIKey of N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
The InChIKey is OKJBWPPSFMVNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-10-8-17(6-5-15-10)9-13(18)16-12-4-2-3-11(14)7-12/h2-4,7,10,15H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide?
N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(3-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 65449046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).