2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C15H21N3O3 — CID 119293260

IUPAC2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2,16)14(21)18-9-7-17(8-10-18)13(20)11-3-5-12(19)6-4-11/h3-6,19H,7-10,16H2,1-2H3
InChIKeyHLRBLKXITVBJFT-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.41
Rot. Bonds2

About 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 119293260) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID119293260
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H21N3O3/c1-15(2,16)14(21)18-9-7-17(8-10-18)13(20)11-3-5-12(19)6-4-11/h3-6,19H,7-10,16H2,1-2H3
InChIKeyHLRBLKXITVBJFT-UHFFFAOYSA-N
XLogP0.41
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-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

[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
2,5-dihydropyrrol-1-yl-(4-hydroxyphenyl)methanone
CID 130695751
2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704901
2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpropan-1-one;hydrochloride
CID 120589011
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 119281311
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 119730637
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534667
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119710130
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120588148

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 119293260) is 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is HLRBLKXITVBJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(2,16)14(21)18-9-7-17(8-10-18)13(20)11-3-5-12(19)6-4-11/h3-6,19H,7-10,16H2,1-2H3.
What are the key properties of 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 291.35 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 119293260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).