(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C17H18ClFN4O — CID 53192420

IUPAC(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H18ClFN4O/c18-12-3-4-14(19)13(9-12)17(24)23-7-5-11(6-8-23)16-20-15(21-22-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,21,22)
InChIKeyMWDYSTGXEAEUJC-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.49
Rot. Bonds3

About (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 53192420) has the molecular formula C17H18ClFN4O and a molecular weight of 348.81 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID53192420
Molecular FormulaC17H18ClFN4O
Molecular Weight348.81 g/mol
Exact Mass348.12
IUPAC Name(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1F)N1CCC(c2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C17H18ClFN4O/c18-12-3-4-14(19)13(9-12)17(24)23-7-5-11(6-8-23)16-20-15(21-22-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,21,22)
InChIKeyMWDYSTGXEAEUJC-UHFFFAOYSA-N
XLogP3.49
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 53192420) is (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1F)N1CCC(c2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MWDYSTGXEAEUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O/c18-12-3-4-14(19)13(9-12)17(24)23-7-5-11(6-8-23)16-20-15(21-22-16)10-1-2-10/h3-4,9-11H,1-2,5-8H2,(H,20,21,22).
What are the key properties of (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
(5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 348.81 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).