(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone

C12H16N2O — CID 116547900

IUPAC(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
SMILESCc1ccncc1C(=O)C1CCCCN1
InChIInChI=1S/C12H16N2O/c1-9-5-7-13-8-10(9)12(15)11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyBQAFVRKGHXYTKW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.71
Rot. Bonds2

About (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone

(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone (PubChem CID 116547900) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
PubChem CID116547900
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone
SMILESCc1ccncc1C(=O)C1CCCCN1
InChIInChI=1S/C12H16N2O/c1-9-5-7-13-8-10(9)12(15)11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6H2,1H3
InChIKeyBQAFVRKGHXYTKW-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclopropyloxy-3-pyridinyl)-[(2R)-piperidin-2-yl]methanone
CID 178103263
azepan-2-yl-(2,4-dimethylphenyl)methanone
CID 116582486
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
(2-aminocyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 116580007
(2S)-N-(4-methyl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 63327750
azepan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102839506
(4,4-dimethylcyclohexyl)-(4-methyl-3-pyridinyl)methanone
CID 66273110
azepan-2-yl-(3,4-dimethylphenyl)methanone
CID 116582591
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(3,5-dimethylphenyl)-piperidin-2-ylmethanone
CID 82285234
1H-imidazol-5-yl(piperidin-2-yl)methanone
CID 84732201
azepan-2-yl-(3-methylphenyl)methanone
CID 84683079

Frequently Asked Questions

What is the IUPAC name of (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone?
The IUPAC name of (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone (CID 116547900) is (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone.
What is the SMILES notation for (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone?
The canonical SMILES for (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone is Cc1ccncc1C(=O)C1CCCCN1.
What is the InChIKey of (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone?
The InChIKey is BQAFVRKGHXYTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-5-7-13-8-10(9)12(15)11-4-2-3-6-14-11/h5,7-8,11,14H,2-4,6H2,1H3.
What are the key properties of (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone?
(4-methyl-3-pyridinyl)-piperidin-2-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-piperidin-2-ylmethanone is sourced from PubChem (CID 116547900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).