(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

C16H19FN4O2 — CID 91905099

IUPAC(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCOCc1nncn1C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O2/c1-23-10-15-19-18-11-21(15)14-6-8-20(9-7-14)16(22)12-2-4-13(17)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeySWJCBNPCTVPZMK-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.04
Rot. Bonds4

About (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone

(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (PubChem CID 91905099) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
PubChem CID91905099
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone
SMILESCOCc1nncn1C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN4O2/c1-23-10-15-19-18-11-21(15)14-6-8-20(9-7-14)16(22)12-2-4-13(17)5-3-12/h2-5,11,14H,6-10H2,1H3
InChIKeySWJCBNPCTVPZMK-UHFFFAOYSA-N
XLogP2.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone (CID 91905099) is (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is COCc1nncn1C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
The InChIKey is SWJCBNPCTVPZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-23-10-15-19-18-11-21(15)14-6-8-20(9-7-14)16(22)12-2-4-13(17)5-3-12/h2-5,11,14H,6-10H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone has a molecular weight of 318.35 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91905099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).