4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one

C17H27N3O — CID 10779812

IUPAC4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c18-10-4-9-17(21)20-14-12-19(13-15-20)11-5-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,18H2
InChIKeyHGKYBNVDLZNAIN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.50
Rot. Bonds7

About 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one

4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one (PubChem CID 10779812) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one
PubChem CID10779812
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C17H27N3O/c18-10-4-9-17(21)20-14-12-19(13-15-20)11-5-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,18H2
InChIKeyHGKYBNVDLZNAIN-UHFFFAOYSA-N
XLogP1.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one (CID 10779812) is 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one is NCCCC(=O)N1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one?
The InChIKey is HGKYBNVDLZNAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-10-4-9-17(21)20-14-12-19(13-15-20)11-5-8-16-6-2-1-3-7-16/h1-3,6-7H,4-5,8-15,18H2.
What are the key properties of 4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one?
4-amino-1-[4-(3-phenylpropyl)piperazin-1-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 1.50, 7 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-phenylpropyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 10779812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).