1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone

C14H18ClN3O2 — CID 108996168

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-11(19)17-5-7-18(8-6-17)14(20)10-16-13-4-2-3-12(15)9-13/h2-4,9,16H,5-8,10H2,1H3
InChIKeyMZNGOPBDSZSKOI-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.44
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone (PubChem CID 108996168) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
PubChem CID108996168
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-11(19)17-5-7-18(8-6-17)14(20)10-16-13-4-2-3-12(15)9-13/h2-4,9,16H,5-8,10H2,1H3
InChIKeyMZNGOPBDSZSKOI-UHFFFAOYSA-N
XLogP1.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone 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

1-(aziridin-1-yl)-2-(3-chloroanilino)ethanone
CID 131042783
2-(3-chloroanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28580633
2-(3-chloroanilino)-1-morpholin-4-ylethanone
CID 28580621
1-(4-benzylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 109002032
2-(3-chloroanilino)-1-(1,4-diazepan-1-yl)ethanone
CID 142710170
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
2-(3-chloroanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 47145291
2-(3-chloroanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004774
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
1-(3-chloroanilino)propan-2-one
CID 21364413
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-(3-acetylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 108995450

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone (CID 108996168) is 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone is CC(=O)N1CCN(C(=O)CNc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
The InChIKey is MZNGOPBDSZSKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-11(19)17-5-7-18(8-6-17)14(20)10-16-13-4-2-3-12(15)9-13/h2-4,9,16H,5-8,10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone has a molecular weight of 295.77 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone is sourced from PubChem (CID 108996168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).