(4-aminopiperazin-1-yl)-phenylmethanone

C11H15N3O — CID 12554633

IUPAC(4-aminopiperazin-1-yl)-phenylmethanone
SMILESNN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C11H15N3O/c12-14-8-6-13(7-9-14)11(15)10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyJEIQNOTUEGFLDW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.32
Rot. Bonds1

About (4-aminopiperazin-1-yl)-phenylmethanone

(4-aminopiperazin-1-yl)-phenylmethanone (PubChem CID 12554633) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (4-aminopiperazin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(4-aminopiperazin-1-yl)-phenylmethanone
PubChem CID12554633
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(4-aminopiperazin-1-yl)-phenylmethanone
SMILESNN1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C11H15N3O/c12-14-8-6-13(7-9-14)11(15)10-4-2-1-3-5-10/h1-5H,6-9,12H2
InChIKeyJEIQNOTUEGFLDW-UHFFFAOYSA-N
XLogP0.32
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze (4-aminopiperazin-1-yl)-phenylmethanone 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-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
4-benzoylpiperazine-1-carbothialdehyde
CID 145488084
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
4-(4-benzoylpiperazine-1-carbonyl)benzenesulfonamide
CID 146048142
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 78771391
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperazin-1-yl)-phenylmethanone?
The IUPAC name of (4-aminopiperazin-1-yl)-phenylmethanone (CID 12554633) is (4-aminopiperazin-1-yl)-phenylmethanone.
What is the SMILES notation for (4-aminopiperazin-1-yl)-phenylmethanone?
The canonical SMILES for (4-aminopiperazin-1-yl)-phenylmethanone is NN1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (4-aminopiperazin-1-yl)-phenylmethanone?
The InChIKey is JEIQNOTUEGFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-14-8-6-13(7-9-14)11(15)10-4-2-1-3-5-10/h1-5H,6-9,12H2.
What are the key properties of (4-aminopiperazin-1-yl)-phenylmethanone?
(4-aminopiperazin-1-yl)-phenylmethanone has a molecular weight of 205.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperazin-1-yl)-phenylmethanone is sourced from PubChem (CID 12554633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).