[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone

C17H19N3O — CID 95824132

IUPAC[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H19N3O/c1-13-3-2-4-16(19-13)14-7-11-20(12-8-14)17(21)15-5-9-18-10-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyAPGZCDLHWAACNM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.80
Rot. Bonds2

About [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone

[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95824132) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95824132
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H19N3O/c1-13-3-2-4-16(19-13)14-7-11-20(12-8-14)17(21)15-5-9-18-10-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3
InChIKeyAPGZCDLHWAACNM-UHFFFAOYSA-N
XLogP2.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-methyl-2-pyridinyl)piperidine-1-carboxylic acid
CID 134498935
(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
[4-(3-hydroxyphenyl)piperidin-1-yl]-[3-(6-methyl-2-pyridinyl)phenyl]methanone
CID 118789042
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 124970955
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
4-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 77087134
(3-ethoxyphenyl)-[4-(4-methylpyrimidin-2-yl)piperidin-1-yl]methanone
CID 136530461
[4-[(2-fluoro-6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 126840338
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
1,3-benzodioxol-5-yl-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124985003

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 95824132) is [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone is Cc1cccc(C2CCN(C(=O)c3ccncc3)CC2)n1.
What is the InChIKey of [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is APGZCDLHWAACNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-3-2-4-16(19-13)14-7-11-20(12-8-14)17(21)15-5-9-18-10-6-15/h2-6,9-10,14H,7-8,11-12H2,1H3.
What are the key properties of [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone?
[4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 281.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95824132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).