(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone

C12H16N2O — CID 2931707

IUPAC(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyWNTMLRIDVBCRJT-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.95
Rot. Bonds1

About (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone

(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone (PubChem CID 2931707) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone
PubChem CID2931707
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone
SMILESCC1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C12H16N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h4-7,10H,2-3,8-9H2,1H3
InChIKeyWNTMLRIDVBCRJT-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
1-Methylnicotinamide
CID 457
Isonicotinamide
CID 15074
Daporinad
CID 6914657
Acetylisoniazid
CID 71602
4-Acetylpyridine
CID 14282
4-Pyridinecarboxaldehyde
CID 13389
Enisamium Iodide
CID 10089466
N-Ethylnicotinamide
CID 78007
4-Pyridinecarboxylic acid, 2-(4-methylcyclohexylidene)hydrazide
CID 203870
Crotoniazide
CID 5369886
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone?
The IUPAC name of (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone (CID 2931707) is (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone is CC1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone?
The InChIKey is WNTMLRIDVBCRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-8-14(9-10)12(15)11-4-6-13-7-5-11/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone?
(3-methylpiperidin-1-yl)-pyridin-4-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-pyridin-4-ylmethanone is sourced from PubChem (CID 2931707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).