3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one

C15H18N6O2 — CID 56716843

IUPAC3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C15H18N6O2/c1-9(2)12-14(22)16-7-8-21(12)15(23)11-6-4-3-5-10(11)13-17-19-20-18-13/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,18,19,20)
InChIKeyCGWQSODILUKZQN-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.46
Rot. Bonds3

About 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one

3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one (PubChem CID 56716843) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
PubChem CID56716843
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one
SMILESCC(C)C1C(=O)NCCN1C(=O)c1ccccc1-c1nn[nH]n1
InChIInChI=1S/C15H18N6O2/c1-9(2)12-14(22)16-7-8-21(12)15(23)11-6-4-3-5-10(11)13-17-19-20-18-13/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,18,19,20)
InChIKeyCGWQSODILUKZQN-UHFFFAOYSA-N
XLogP0.46
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
(4-methyl-2-phenylpiperazin-1-yl)-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 72863235
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
2-(2H-tetrazol-5-yl)benzoic acid
CID 555192
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873327
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
(1R,5R)-N,N-dimethyl-6-[2-(2H-tetrazol-5-yl)benzoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72879586
4-(3-amino-3-phenylpropanoyl)-3-propan-2-ylpiperazin-2-one
CID 119951226
2-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]-1H-quinolin-4-one
CID 95215815
(3R)-4-(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 99816574
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one?
The IUPAC name of 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one (CID 56716843) is 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one?
The canonical SMILES for 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one is CC(C)C1C(=O)NCCN1C(=O)c1ccccc1-c1nn[nH]n1.
What is the InChIKey of 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one?
The InChIKey is CGWQSODILUKZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-9(2)12-14(22)16-7-8-21(12)15(23)11-6-4-3-5-10(11)13-17-19-20-18-13/h3-6,9,12H,7-8H2,1-2H3,(H,16,22)(H,17,18,19,20).
What are the key properties of 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one?
3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one has a molecular weight of 314.35 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4-[2-(2H-tetrazol-5-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 56716843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).