1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one

C17H22Cl2N2O2 — CID 108569544

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-12(4-2)16(22)20-7-9-21(10-8-20)17(23)14-6-5-13(18)11-15(14)19/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeySMRIDHSWQGEWEB-UHFFFAOYSA-N
MW357.28 g/mol
LogP3.71
Rot. Bonds4

About 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one (PubChem CID 108569544) has the molecular formula C17H22Cl2N2O2 and a molecular weight of 357.28 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
PubChem CID108569544
Molecular FormulaC17H22Cl2N2O2
Molecular Weight357.28 g/mol
Exact Mass356.11
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O2/c1-3-12(4-2)16(22)20-7-9-21(10-8-20)17(23)14-6-5-13(18)11-15(14)19/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeySMRIDHSWQGEWEB-UHFFFAOYSA-N
XLogP3.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-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

2-amino-1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
CID 119281994
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317244
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 110721545
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 879682
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 110801762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one (CID 108569544) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one is CCC(CC)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one?
The InChIKey is SMRIDHSWQGEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O2/c1-3-12(4-2)16(22)20-7-9-21(10-8-20)17(23)14-6-5-13(18)11-15(14)19/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one has a molecular weight of 357.28 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one is sourced from PubChem (CID 108569544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).