(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

C16H20N4O — CID 86796972

IUPAC(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)C(C)C1
InChIInChI=1S/C16H20N4O/c1-11-7-8-20(12(2)9-11)16(21)14-5-3-13(4-6-14)15-17-10-18-19-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyLJMLEWREIYWYPL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.73
Rot. Bonds2

About (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone

(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (PubChem CID 86796972) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
PubChem CID86796972
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
SMILESCC1CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)C(C)C1
InChIInChI=1S/C16H20N4O/c1-11-7-8-20(12(2)9-11)16(21)14-5-3-13(4-6-14)15-17-10-18-19-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyLJMLEWREIYWYPL-UHFFFAOYSA-N
XLogP2.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The IUPAC name of (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone (CID 86796972) is (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone.
What is the SMILES notation for (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The canonical SMILES for (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is CC1CCN(C(=O)c2ccc(-c3ncn[nH]3)cc2)C(C)C1.
What is the InChIKey of (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
The InChIKey is LJMLEWREIYWYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-7-8-20(12(2)9-11)16(21)14-5-3-13(4-6-14)15-17-10-18-19-15/h3-6,10-12H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone?
(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone is sourced from PubChem (CID 86796972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).