1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one

C16H20FN5O — CID 95798423

IUPAC1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
SMILESO=c1n(C2CC2)nnn1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H20FN5O/c17-15-4-2-1-3-12(15)11-20-9-7-14(8-10-20)22-16(23)21(18-19-22)13-5-6-13/h1-4,13-14H,5-11H2
InChIKeyUMTGVBIHBXZTDI-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one

1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one (PubChem CID 95798423) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
PubChem CID95798423
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
SMILESO=c1n(C2CC2)nnn1C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C16H20FN5O/c17-15-4-2-1-3-12(15)11-20-9-7-14(8-10-20)22-16(23)21(18-19-22)13-5-6-13/h1-4,13-14H,5-11H2
InChIKeyUMTGVBIHBXZTDI-UHFFFAOYSA-N
XLogP1.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The IUPAC name of 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one (CID 95798423) is 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one is O=c1n(C2CC2)nnn1C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The InChIKey is UMTGVBIHBXZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-15-4-2-1-3-12(15)11-20-9-7-14(8-10-20)22-16(23)21(18-19-22)13-5-6-13/h1-4,13-14H,5-11H2.
What are the key properties of 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one has a molecular weight of 317.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one is sourced from PubChem (CID 95798423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).