3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one

C13H18ClN3O — CID 43135355

IUPAC3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5-10,15H2
InChIKeyVYAJLVYKWQHSHZ-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.34
Rot. Bonds3

About 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one

3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 43135355) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
PubChem CID43135355
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN3O/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5-10,15H2
InChIKeyVYAJLVYKWQHSHZ-UHFFFAOYSA-N
XLogP1.34
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[4-(4-chlorophenyl)piperazin-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

4-chloro-1-[4-(4-chlorophenyl)piperazin-1-yl]butan-1-one
CID 4159401
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-amino-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 22945719
1-[4-(4-chlorophenyl)piperazin-1-yl]-4-methylpentan-1-one
CID 90253989
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]guanidine
CID 110917770
1-[4-(4-chlorophenyl)piperazin-1-yl]octan-1-one
CID 4105444
4-[4-(3-aminopropanoyl)piperazin-1-yl]benzenesulfonamide;dihydrochloride
CID 119843946
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
4-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]butanamide;dihydrochloride
CID 119871517
2-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 10046381
ethyl 7-[4-(4-chlorophenyl)piperazin-1-yl]-7-oxoheptanoate
CID 57439165
7-amino-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]heptanamide
CID 119871471

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one (CID 43135355) is 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one is NCCC(=O)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is VYAJLVYKWQHSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-1-3-12(4-2-11)16-7-9-17(10-8-16)13(18)5-6-15/h1-4H,5-10,15H2.
What are the key properties of 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one?
3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 267.76 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 43135355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).