(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

C14H16FN5O — CID 110196504

IUPAC(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FN5O/c1-19-13(16-17-18-19)11-3-2-8-20(9-11)14(21)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyAYBOWQJNMXZQHQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.37
Rot. Bonds2

About (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone

(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 110196504) has the molecular formula C14H16FN5O and a molecular weight of 289.31 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
PubChem CID110196504
Molecular FormulaC14H16FN5O
Molecular Weight289.31 g/mol
Exact Mass289.13
IUPAC Name(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone
SMILESCn1nnnc1C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C14H16FN5O/c1-19-13(16-17-18-19)11-3-2-8-20(9-11)14(21)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3
InChIKeyAYBOWQJNMXZQHQ-UHFFFAOYSA-N
XLogP1.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone (CID 110196504) is (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is Cn1nnnc1C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is AYBOWQJNMXZQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O/c1-19-13(16-17-18-19)11-3-2-8-20(9-11)14(21)10-4-6-12(15)7-5-10/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 289.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(1-methyltetrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110196504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).