[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C19H19FN6O2 — CID 29131973

IUPAC[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(F)ccc3-n3cnnn3)CC2)cc1
InChIInChI=1S/C19H19FN6O2/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)19(27)17-12-14(20)2-7-18(17)26-13-21-22-23-26/h2-7,12-13H,8-11H2,1H3
InChIKeyGDXSUPAGFDOYHA-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.77
Rot. Bonds4

About [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 29131973) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID29131973
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(F)ccc3-n3cnnn3)CC2)cc1
InChIInChI=1S/C19H19FN6O2/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)19(27)17-12-14(20)2-7-18(17)26-13-21-22-23-26/h2-7,12-13H,8-11H2,1H3
InChIKeyGDXSUPAGFDOYHA-UHFFFAOYSA-N
XLogP1.77
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
CID 42534190
5-fluoro-N-[(4-methoxyphenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 42582423
[4-(3-methoxyphenyl)piperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 38573728
[2-bromo-5-(tetrazol-1-yl)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 39349949
[4-(4-fluorophenyl)piperazin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 47005182
1-[5-fluoro-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]indol-1-yl]ethanone
CID 113212411
[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42785291
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
(5-fluoro-2-methoxyphenyl)-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 38029328
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 6458420
[2-bromo-5-(1,2,4-triazol-4-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51701517

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 29131973) is [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3cc(F)ccc3-n3cnnn3)CC2)cc1.
What is the InChIKey of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is GDXSUPAGFDOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-28-16-5-3-15(4-6-16)24-8-10-25(11-9-24)19(27)17-12-14(20)2-7-18(17)26-13-21-22-23-26/h2-7,12-13H,8-11H2,1H3.
What are the key properties of [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 382.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 29131973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).