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

C18H23FN4O2 — CID 87052130

IUPAC(3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-3-9-22-12-20-21-17(22)15-6-4-5-10-23(15)18(24)13-7-8-16(25-2)14(19)11-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyRLSQSZPMTCBTGX-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.20
Rot. Bonds5

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

(3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 87052130) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID87052130
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCCCn1cnnc1C1CCCCN1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C18H23FN4O2/c1-3-9-22-12-20-21-17(22)15-6-4-5-10-23(15)18(24)13-7-8-16(25-2)14(19)11-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3
InChIKeyRLSQSZPMTCBTGX-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 87052130) is (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is CCCn1cnnc1C1CCCCN1C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is RLSQSZPMTCBTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-9-22-12-20-21-17(22)15-6-4-5-10-23(15)18(24)13-7-8-16(25-2)14(19)11-13/h7-8,11-12,15H,3-6,9-10H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 346.41 g/mol, XLogP of 3.20, 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)-[2-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 87052130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).