4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one

C12H12N6O2 — CID 47111544

IUPAC4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1
InChIInChI=1S/C12H12N6O2/c19-11-7-17(6-5-13-11)12(20)9-1-3-10(4-2-9)18-8-14-15-16-18/h1-4,8H,5-7H2,(H,13,19)
InChIKeyKRQWQPPABZXMLW-UHFFFAOYSA-N
MW272.27 g/mol
LogP-0.77
Rot. Bonds2

About 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one

4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one (PubChem CID 47111544) has the molecular formula C12H12N6O2 and a molecular weight of 272.27 g/mol. Its IUPAC name is 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
PubChem CID47111544
Molecular FormulaC12H12N6O2
Molecular Weight272.27 g/mol
Exact Mass272.10
IUPAC Name4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
SMILESO=C1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1
InChIInChI=1S/C12H12N6O2/c19-11-7-17(6-5-13-11)12(20)9-1-3-10(4-2-9)18-8-14-15-16-18/h1-4,8H,5-7H2,(H,13,19)
InChIKeyKRQWQPPABZXMLW-UHFFFAOYSA-N
XLogP-0.77
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934963
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-[3-(tetrazol-1-yl)thiophene-2-carbonyl]-1,4-diazepan-2-one
CID 62898172
4-(4-methylsulfonylbenzoyl)piperazin-2-one
CID 31095751
(4-methylsulfonylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 28935289
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 35795642
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 164696932

Frequently Asked Questions

What is the IUPAC name of 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one?
The IUPAC name of 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one (CID 47111544) is 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one?
The canonical SMILES for 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one is O=C1CN(C(=O)c2ccc(-n3cnnn3)cc2)CCN1.
What is the InChIKey of 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one?
The InChIKey is KRQWQPPABZXMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2/c19-11-7-17(6-5-13-11)12(20)9-1-3-10(4-2-9)18-8-14-15-16-18/h1-4,8H,5-7H2,(H,13,19).
What are the key properties of 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one?
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one has a molecular weight of 272.27 g/mol, XLogP of -0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 47111544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).