(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C18H17FN6O — CID 2243323

IUPAC(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H17FN6O/c19-15-8-6-14(7-9-15)17(26)23-10-12-24(13-11-23)18-20-21-22-25(18)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyKFTBMOFCZSSTTC-UHFFFAOYSA-N
MW352.37 g/mol
LogP1.76
Rot. Bonds3

About (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 2243323) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID2243323
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H17FN6O/c19-15-8-6-14(7-9-15)17(26)23-10-12-24(13-11-23)18-20-21-22-25(18)16-4-2-1-3-5-16/h1-9H,10-13H2
InChIKeyKFTBMOFCZSSTTC-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 2243323) is (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is KFTBMOFCZSSTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-15-8-6-14(7-9-15)17(26)23-10-12-24(13-11-23)18-20-21-22-25(18)16-4-2-1-3-5-16/h1-9H,10-13H2.
What are the key properties of (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 352.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 2243323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).