4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one

C16H21Cl2N3O2 — CID 120559752

IUPAC4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c1-11(19)2-3-15(22)20-4-6-21(7-5-20)16(23)12-8-13(17)10-14(18)9-12/h8-11H,2-7,19H2,1H3
InChIKeyHWJCZLJMNYISLD-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.41
Rot. Bonds4

About 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one

4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one (PubChem CID 120559752) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
PubChem CID120559752
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one
SMILESCC(N)CCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C16H21Cl2N3O2/c1-11(19)2-3-15(22)20-4-6-21(7-5-20)16(23)12-8-13(17)10-14(18)9-12/h8-11H,2-7,19H2,1H3
InChIKeyHWJCZLJMNYISLD-UHFFFAOYSA-N
XLogP2.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-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

4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
4-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 120559897
4-amino-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120564149
4-amino-1-[4-(4-nitrobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120563235
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 134063131
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
4,5-diamino-1-[4-(3,4,5-trihydroxybenzoyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 134144549
4-amino-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564498
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
CID 120564268
2-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 18156810
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one (CID 120559752) is 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one is CC(N)CCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is HWJCZLJMNYISLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-11(19)2-3-15(22)20-4-6-21(7-5-20)16(23)12-8-13(17)10-14(18)9-12/h8-11H,2-7,19H2,1H3.
What are the key properties of 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one?
4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 358.27 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 120559752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).