4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide

C17H25N3O3 — CID 95156330

IUPAC4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-12(2)13(3)18-17(23)20-9-7-19(8-10-20)16(22)14-5-4-6-15(21)11-14/h4-6,11-13,21H,7-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyXAZJALYZCPSAPG-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.90
Rot. Bonds3

About 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide

4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide (PubChem CID 95156330) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
PubChem CID95156330
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-12(2)13(3)18-17(23)20-9-7-19(8-10-20)16(22)14-5-4-6-15(21)11-14/h4-6,11-13,21H,7-10H2,1-3H3,(H,18,23)/t13-/m1/s1
InChIKeyXAZJALYZCPSAPG-CYBMUJFWSA-N
XLogP1.90
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide 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-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 55116787
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 60818037
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 95785638
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 134045309
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
2-(4-chlorophenoxy)-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 108535959
4-(3-hydroxybenzoyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 51133275
2-amino-1-[4-(3-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668170
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide (CID 95156330) is 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide is CC(C)[C@@H](C)NC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide?
The InChIKey is XAZJALYZCPSAPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)13(3)18-17(23)20-9-7-19(8-10-20)16(22)14-5-4-6-15(21)11-14/h4-6,11-13,21H,7-10H2,1-3H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide?
4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 95156330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).