3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

C15H21Cl2N3O — CID 109017604

IUPAC3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-19-7-9-20(10-8-19)15(21)5-6-18-12-3-4-13(16)14(17)11-12/h3-4,11,18H,2,5-10H2,1H3
InChIKeyIRDGTPSJKCVDNE-UHFFFAOYSA-N
MW330.26 g/mol
LogP2.96
Rot. Bonds5

About 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one

3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 109017604) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID109017604
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCNc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H21Cl2N3O/c1-2-19-7-9-20(10-8-19)15(21)5-6-18-12-3-4-13(16)14(17)11-12/h3-4,11,18H,2,5-10H2,1H3
InChIKeyIRDGTPSJKCVDNE-UHFFFAOYSA-N
XLogP2.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one 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

3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913
N-[4-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]phenyl]acetamide
CID 109017571
3-(2,6-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017608
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
2-(3-chloro-4-fluoroanilino)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995634
3-(2,6-dimethylanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017526
1-(azepan-1-yl)-3-(3-chloro-4-methoxyanilino)propan-1-one
CID 109033534
4-[3-(3-chloro-4-fluoroanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017865
3-(3-chloro-4-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029310
3-(3-chloro-4-fluoroanilino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109027256
3-(3-chloro-4-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030101
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 109017604) is 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)CCNc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is IRDGTPSJKCVDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-2-19-7-9-20(10-8-19)15(21)5-6-18-12-3-4-13(16)14(17)11-12/h3-4,11,18H,2,5-10H2,1H3.
What are the key properties of 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one?
3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 330.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichloroanilino)-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109017604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).