(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C18H23FN4O2 — CID 53192800

IUPAC(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C18H23FN4O2/c1-3-8-23-12-20-21-17(23)14-5-4-9-22(11-14)18(24)13-6-7-16(25-2)15(19)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyAVSWZQQMVGHJDA-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.86
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192800) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192800
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1
InChIInChI=1S/C18H23FN4O2/c1-3-8-23-12-20-21-17(23)14-5-4-9-22(11-14)18(24)13-6-7-16(25-2)15(19)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3
InChIKeyAVSWZQQMVGHJDA-UHFFFAOYSA-N
XLogP2.86
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192800) is (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCCn1cnnc1C1CCCN(C(=O)c2ccc(OC)c(F)c2)C1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is AVSWZQQMVGHJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-8-23-12-20-21-17(23)14-5-4-9-22(11-14)18(24)13-6-7-16(25-2)15(19)10-13/h6-7,10,12,14H,3-5,8-9,11H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 346.41 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).