(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone

C16H20N4O — CID 134503257

IUPAC(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)c(-n2nccn2)c1
InChIInChI=1S/C16H20N4O/c1-12-6-7-14(15(11-12)20-17-8-9-18-20)16(21)19-10-4-3-5-13(19)2/h6-9,11,13H,3-5,10H2,1-2H3
InChIKeyJIRNYOWJHUYGHE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.59
Rot. Bonds2

About (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone

(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 134503257) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID134503257
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(C(=O)N2CCCCC2C)c(-n2nccn2)c1
InChIInChI=1S/C16H20N4O/c1-12-6-7-14(15(11-12)20-17-8-9-18-20)16(21)19-10-4-3-5-13(19)2/h6-9,11,13H,3-5,10H2,1-2H3
InChIKeyJIRNYOWJHUYGHE-UHFFFAOYSA-N
XLogP2.59
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-3-[(5-chloropyrimidin-2-yl)amino]-2-methylpiperidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 90404864
(2,6-dimethyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 128939743
[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 86271016
(2-methyl-1,3-oxazinan-3-yl)-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 137419861
[(7R)-4-(5-chloro-3-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134287151
(2-methylpiperidin-1-yl)-[5-methyl-2-(1,3-thiazol-2-yl)phenyl]methanone
CID 123296650
[7-methyl-4-(4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121364726
(6-chloro-2-methyl-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 24885199
(3R,6R)-1-[4-fluoro-2-(triazol-2-yl)benzoyl]-6-methylpiperidine-3-carboxylic acid
CID 86729685
[(2S)-2-(6-methylsulfanyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118127106
[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 94862004
[(6R)-6-methyl-1,2,5-oxadiazepan-5-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone;hydrobromide
CID 134279335

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone (CID 134503257) is (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(C(=O)N2CCCCC2C)c(-n2nccn2)c1.
What is the InChIKey of (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is JIRNYOWJHUYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-6-7-14(15(11-12)20-17-8-9-18-20)16(21)19-10-4-3-5-13(19)2/h6-9,11,13H,3-5,10H2,1-2H3.
What are the key properties of (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone?
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 134503257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).