1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C15H18N6O3 — CID 131960673

IUPAC1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(O)c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1
InChIInChI=1S/C15H18N6O3/c1-11-2-3-13(22)12(8-11)15(24)20-6-4-19(5-7-20)14(23)9-21-10-16-17-18-21/h2-3,8,10,22H,4-7,9H2,1H3
InChIKeyVXXZPWGTSFPZKX-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.33
Rot. Bonds3

About 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 131960673) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID131960673
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1ccc(O)c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1
InChIInChI=1S/C15H18N6O3/c1-11-2-3-13(22)12(8-11)15(24)20-6-4-19(5-7-20)14(23)9-21-10-16-17-18-21/h2-3,8,10,22H,4-7,9H2,1H3
InChIKeyVXXZPWGTSFPZKX-UHFFFAOYSA-N
XLogP-0.33
TPSA104.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-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

Related Compounds

1-[4-(3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78904992
1-[4-(4-bromo-2-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905435
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 132968742
1-[4-(2-iodo-3-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905393
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
1-[4-[2,5-dimethyl-1-(3-propan-2-ylphenyl)pyrrole-3-carbonyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905394
1-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905101
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
3-(4-ethylphenyl)-1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]propan-1-one
CID 78904858
(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60706667
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
1-[4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905566

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 131960673) is 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is Cc1ccc(O)c(C(=O)N2CCN(C(=O)Cn3cnnn3)CC2)c1.
What is the InChIKey of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is VXXZPWGTSFPZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-11-2-3-13(22)12(8-11)15(24)20-6-4-19(5-7-20)14(23)9-21-10-16-17-18-21/h2-3,8,10,22H,4-7,9H2,1H3.
What are the key properties of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 330.35 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 131960673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).