(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone

C17H19N3O2 — CID 58736410

IUPAC(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1O
InChIInChI=1S/C17H19N3O2/c18-15-8-4-7-14(16(15)21)17(22)20-11-9-19(10-12-20)13-5-2-1-3-6-13/h1-8,21H,9-12,18H2
InChIKeyNAIBUYFTIYYWTG-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.94
Rot. Bonds2

About (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone

(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 58736410) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID58736410
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
SMILESNc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1O
InChIInChI=1S/C17H19N3O2/c18-15-8-4-7-14(16(15)21)17(22)20-11-9-19(10-12-20)13-5-2-1-3-6-13/h1-8,21H,9-12,18H2
InChIKeyNAIBUYFTIYYWTG-UHFFFAOYSA-N
XLogP1.94
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone 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

(3-amino-2-hydroxyphenyl)-(4-methylpiperazin-1-yl)methanone;ethane
CID 143389345
(3-amino-2-hydroxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 58736577
(2-amino-5-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1254100
(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 87011127
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
(3-amino-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 20772795
1-(3-amino-2-hydroxybenzoyl)-N-oxopiperidine-4-carboxamide
CID 89354748
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone (CID 58736410) is (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone is Nc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1O.
What is the InChIKey of (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is NAIBUYFTIYYWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c18-15-8-4-7-14(16(15)21)17(22)20-11-9-19(10-12-20)13-5-2-1-3-6-13/h1-8,21H,9-12,18H2.
What are the key properties of (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone?
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 297.36 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 58736410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).