(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone

C19H19FN4O — CID 1469752

IUPAC(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H19FN4O/c1-13-6-7-18-17(12-13)21-22-24(18)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20/h2-7,12,14H,8-11H2,1H3
InChIKeyKTTFUPDHBDIQGT-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.36
Rot. Bonds2

About (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone

(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 1469752) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
PubChem CID1469752
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H19FN4O/c1-13-6-7-18-17(12-13)21-22-24(18)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20/h2-7,12,14H,8-11H2,1H3
InChIKeyKTTFUPDHBDIQGT-UHFFFAOYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-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 (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone (CID 1469752) is (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is KTTFUPDHBDIQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-13-6-7-18-17(12-13)21-22-24(18)14-8-10-23(11-9-14)19(25)15-4-2-3-5-16(15)20/h2-7,12,14H,8-11H2,1H3.
What are the key properties of (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone?
(2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 1469752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).