(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone

C22H24N4O — CID 134149903

IUPAC(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
SMILESCCC1CCCCN1C(=O)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O/c1-2-20-10-6-7-15-25(20)22(27)26-16-21(23-24-26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-5,8-9,11-14,16,20H,2,6-7,10,15H2,1H3
InChIKeyMOAKLJWNGBAHTR-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.84
Rot. Bonds3

About (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone

(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone (PubChem CID 134149903) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
PubChem CID134149903
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone
SMILESCCC1CCCCN1C(=O)n1cc(-c2ccc(-c3ccccc3)cc2)nn1
InChIInChI=1S/C22H24N4O/c1-2-20-10-6-7-15-25(20)22(27)26-16-21(23-24-26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-5,8-9,11-14,16,20H,2,6-7,10,15H2,1H3
InChIKeyMOAKLJWNGBAHTR-UHFFFAOYSA-N
XLogP4.84
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone (CID 134149903) is (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone is CCC1CCCCN1C(=O)n1cc(-c2ccc(-c3ccccc3)cc2)nn1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone?
The InChIKey is MOAKLJWNGBAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-20-10-6-7-15-25(20)22(27)26-16-21(23-24-26)19-13-11-18(12-14-19)17-8-4-3-5-9-17/h3-5,8-9,11-14,16,20H,2,6-7,10,15H2,1H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone?
(2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[4-(4-phenylphenyl)triazol-1-yl]methanone is sourced from PubChem (CID 134149903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).