1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

C18H24FN7O — CID 45211610

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H24FN7O/c19-15-3-5-16(6-4-15)23-8-10-24(11-9-23)17-2-1-7-25(12-17)18(27)13-26-14-20-21-22-26/h3-6,14,17H,1-2,7-13H2
InChIKeyCQFJANCXXVPMRD-UHFFFAOYSA-N
MW373.44 g/mol
LogP0.63
Rot. Bonds4

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 45211610) has the molecular formula C18H24FN7O and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID45211610
Molecular FormulaC18H24FN7O
Molecular Weight373.44 g/mol
Exact Mass373.20
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C18H24FN7O/c19-15-3-5-16(6-4-15)23-8-10-24(11-9-23)17-2-1-7-25(12-17)18(27)13-26-14-20-21-22-26/h3-6,14,17H,1-2,7-13H2
InChIKeyCQFJANCXXVPMRD-UHFFFAOYSA-N
XLogP0.63
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3,3,3-trifluoro-1-[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 25288759
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
cyclobutyl-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986014
3-(benzimidazol-1-yl)-1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
CID 45252749
[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-hydroxycyclopentyl)methanone
CID 95722350
[(3S)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 42241698
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 24719086
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 24790572
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24791035
[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 45186042

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 45211610) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is CQFJANCXXVPMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN7O/c19-15-3-5-16(6-4-15)23-8-10-24(11-9-23)17-2-1-7-25(12-17)18(27)13-26-14-20-21-22-26/h3-6,14,17H,1-2,7-13H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 373.44 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 45211610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).