3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one

C19H17FN6O2 — CID 77090341

IUPAC3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
SMILESCn1nnc(-c2ccc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2)n1
InChIInChI=1S/C19H17FN6O2/c1-25-23-17(22-24-25)12-5-7-13(8-6-12)19(28)26-10-9-21-18(27)16(26)14-3-2-4-15(20)11-14/h2-8,11,16H,9-10H2,1H3,(H,21,27)
InChIKeyHCKFFBIPEVMVMR-UHFFFAOYSA-N
MW380.38 g/mol
LogP1.33
Rot. Bonds3

About 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one

3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one (PubChem CID 77090341) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
PubChem CID77090341
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC Name3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
SMILESCn1nnc(-c2ccc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2)n1
InChIInChI=1S/C19H17FN6O2/c1-25-23-17(22-24-25)12-5-7-13(8-6-12)19(28)26-10-9-21-18(27)16(26)14-3-2-4-15(20)11-14/h2-8,11,16H,9-10H2,1H3,(H,21,27)
InChIKeyHCKFFBIPEVMVMR-UHFFFAOYSA-N
XLogP1.33
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(3-fluorophenyl)-4-[4-(1H-pyrazol-5-yl)benzoyl]piperazin-2-one
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(3R)-3-(3-fluorophenyl)-4-[2-(methylamino)pyridine-4-carbonyl]piperazin-2-one
CID 95147843
(3S)-4-[4-(3-aminopropoxy)benzoyl]-3-(3-fluorophenyl)piperazin-2-one
CID 125168382
2-[2-(3-fluorophenyl)-3-oxopiperazine-1-carbonyl]-5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 154567312
(3S)-3-(3-fluorophenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 97126846
4-(4-bromobenzoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428493
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
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CID 154568818
3-(4-fluorophenyl)-4-(4-pyrrol-1-ylbenzoyl)piperazin-2-one
CID 110425971
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
CID 110657549
N-(2,3-dihydro-1H-inden-4-yl)-2-(3-fluorophenyl)-3-oxopiperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one (CID 77090341) is 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one is Cn1nnc(-c2ccc(C(=O)N3CCNC(=O)C3c3cccc(F)c3)cc2)n1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one?
The InChIKey is HCKFFBIPEVMVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-25-23-17(22-24-25)12-5-7-13(8-6-12)19(28)26-10-9-21-18(27)16(26)14-3-2-4-15(20)11-14/h2-8,11,16H,9-10H2,1H3,(H,21,27).
What are the key properties of 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one?
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one has a molecular weight of 380.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one is sourced from PubChem (CID 77090341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).