1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

C19H19FN6O — CID 1264121

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O/c20-16-6-8-17(9-7-16)24-10-12-25(13-11-24)18(27)14-26-22-19(21-23-26)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyGXUJPGJLHVOSJK-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.83
Rot. Bonds4

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (PubChem CID 1264121) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
PubChem CID1264121
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
SMILESO=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C19H19FN6O/c20-16-6-8-17(9-7-16)24-10-12-25(13-11-24)18(27)14-26-22-19(21-23-26)15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyGXUJPGJLHVOSJK-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-(3-methyl-piperidin-1-yl)-ethanone
CID 591008
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]ethanone
CID 3438303
N-[3-(2H-tetrazol-5-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 49872677
N-[(2-fluorophenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 49872776
2-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-1-piperidin-1-yl-ethanone
CID 590954
N-(2-Morpholin-4-yl-phenyl)-2-(5-p-tolyl-tetrazol-2-yl)-acetamide
CID 644884
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-[5-(4-morpholin-4-ylmethyl-phenyl)-tetrazol-2-yl]-ethanone
CID 646381
2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]-N-[2-(4-morpholinyl)phenyl]acetamide
CID 646660
1-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)-2-[5-[4-(dimethylamino)phenyl]-2-tetrazolyl]ethanone
CID 652670
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
2-[5-(2-fluorophenyl)-2-tetrazolyl]-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 1143706
2-[5-[4-(morpholin-4-ylmethyl)phenyl]tetrazol-2-yl]-N,N-diphenylacetamide
CID 1157274

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone (CID 1264121) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
The InChIKey is GXUJPGJLHVOSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-16-6-8-17(9-7-16)24-10-12-25(13-11-24)18(27)14-26-22-19(21-23-26)15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone has a molecular weight of 366.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone is sourced from PubChem (CID 1264121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).