2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone

C18H28N4O — CID 84755578

IUPAC2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N4O/c19-13-18(23)22-8-4-7-17(15-22)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15,19H2
InChIKeyTWQLZTVWFMGPJE-UHFFFAOYSA-N
MW316.45 g/mol
LogP0.75
Rot. Bonds4

About 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone

2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone (PubChem CID 84755578) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
PubChem CID84755578
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C18H28N4O/c19-13-18(23)22-8-4-7-17(15-22)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15,19H2
InChIKeyTWQLZTVWFMGPJE-UHFFFAOYSA-N
XLogP0.75
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone 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 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone (CID 84755578) is 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone is NCC(=O)N1CCCC(N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone?
The InChIKey is TWQLZTVWFMGPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c19-13-18(23)22-8-4-7-17(15-22)21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-3,5-6,17H,4,7-15,19H2.
What are the key properties of 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone?
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone has a molecular weight of 316.45 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 84755578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).