[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone

C15H18N4O — CID 110194757

IUPAC[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-16-14(18-17-11)13-9-5-6-10-19(13)15(20)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyOPKBGEYMQZRIHH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.48
Rot. Bonds2

About [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone

[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 110194757) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone
PubChem CID110194757
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1nc(C2CCCCN2C(=O)c2ccccc2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-16-14(18-17-11)13-9-5-6-10-19(13)15(20)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18)
InChIKeyOPKBGEYMQZRIHH-UHFFFAOYSA-N
XLogP2.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone (CID 110194757) is [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone is Cc1nc(C2CCCCN2C(=O)c2ccccc2)n[nH]1.
What is the InChIKey of [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is OPKBGEYMQZRIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-16-14(18-17-11)13-9-5-6-10-19(13)15(20)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-10H2,1H3,(H,16,17,18).
What are the key properties of [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone?
[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 270.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110194757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).