3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one

C16H23N3O — CID 61116139

IUPAC3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
SMILESNc1ccc(CCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H23N3O/c17-14-4-1-13(2-5-14)3-8-16(20)19-11-9-18(10-12-19)15-6-7-15/h1-2,4-5,15H,3,6-12,17H2
InChIKeyJBZKGWIJZBTYPB-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.51
Rot. Bonds4

About 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one

3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (PubChem CID 61116139) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
PubChem CID61116139
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one
SMILESNc1ccc(CCC(=O)N2CCN(C3CC3)CC2)cc1
InChIInChI=1S/C16H23N3O/c17-14-4-1-13(2-5-14)3-8-16(20)19-11-9-18(10-12-19)15-6-7-15/h1-2,4-5,15H,3,6-12,17H2
InChIKeyJBZKGWIJZBTYPB-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-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

1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-(4-cyclopentylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774449
3-(4-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 61114719
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
3-(4-aminophenyl)-1-(3-hydroxy-3-methylazetidin-1-yl)propan-1-one
CID 107210532
2-(4-aminophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 119842927
4-[1-[3-(3,4-diethylphenyl)propanoyl]piperidin-4-yl]piperazine-1-carboxamide
CID 173094944
4-[4-[3-(2H-benzotriazol-5-yl)propanoyl]piperazin-1-yl]piperidine-1-carboxamide
CID 18452009
5-(4-bromophenyl)-1-(4-cyclopentylpiperazin-1-yl)pentan-1-one
CID 55761211
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one (CID 61116139) is 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one is Nc1ccc(CCC(=O)N2CCN(C3CC3)CC2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
The InChIKey is JBZKGWIJZBTYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-14-4-1-13(2-5-14)3-8-16(20)19-11-9-18(10-12-19)15-6-7-15/h1-2,4-5,15H,3,6-12,17H2.
What are the key properties of 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one?
3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-cyclopropylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 61116139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).