1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone

C13H18N2O — CID 134601157

IUPAC1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(C)nc2)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-4-13(9-14-10)12-5-7-15(8-6-12)11(2)16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPXRMJZFWFRHLGJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.12
Rot. Bonds1

About 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone

1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone (PubChem CID 134601157) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
PubChem CID134601157
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(C)nc2)CC1
InChIInChI=1S/C13H18N2O/c1-10-3-4-13(9-14-10)12-5-7-15(8-6-12)11(2)16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyPXRMJZFWFRHLGJ-UHFFFAOYSA-N
XLogP2.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 127813854
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-[(7S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]methanone
CID 164631479
4-methoxy-5-[4-(6-methyl-3-pyridinyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 138026932
2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-5-sulfamoylbenzoic acid
CID 138002938
3-methoxy-N-[2-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 136522528
1-[4-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]piperidin-1-yl]ethanone
CID 95824947
2-[4-(1-acetylpiperidin-4-yl)phenyl]propanoic acid
CID 154252055
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanone
CID 126758698
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
N-[5-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]acetamide
CID 176691997
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone (CID 134601157) is 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccc(C)nc2)CC1.
What is the InChIKey of 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
The InChIKey is PXRMJZFWFRHLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-3-4-13(9-14-10)12-5-7-15(8-6-12)11(2)16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone?
1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 134601157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).