N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide

C16H22ClN3O2 — CID 17018500

IUPACN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-5-15(22)18-14-7-4-6-13(17)16(14)20-10-8-19(9-11-20)12(2)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,18,22)
InChIKeyVFHQHWCVELNQFR-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.75
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide

N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide (PubChem CID 17018500) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
PubChem CID17018500
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
SMILESCCCC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-5-15(22)18-14-7-4-6-13(17)16(14)20-10-8-19(9-11-20)12(2)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,18,22)
InChIKeyVFHQHWCVELNQFR-UHFFFAOYSA-N
XLogP2.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide 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-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide (CID 17018500) is N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide is CCCC(=O)Nc1cccc(Cl)c1N1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide?
The InChIKey is VFHQHWCVELNQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-3-5-15(22)18-14-7-4-6-13(17)16(14)20-10-8-19(9-11-20)12(2)21/h4,6-7H,3,5,8-11H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide?
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide has a molecular weight of 323.82 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide is sourced from PubChem (CID 17018500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).