1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone

C15H24N2O — CID 83055820

IUPAC1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1ccn(C)c1
InChIInChI=1S/C15H24N2O/c1-3-6-14-7-4-5-9-17(14)12-15(18)13-8-10-16(2)11-13/h8,10-11,14H,3-7,9,12H2,1-2H3
InChIKeyXGVUHQNVJFOTSR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds5

About 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone

1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone (PubChem CID 83055820) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
PubChem CID83055820
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
SMILESCCCC1CCCCN1CC(=O)c1ccn(C)c1
InChIInChI=1S/C15H24N2O/c1-3-6-14-7-4-5-9-17(14)12-15(18)13-8-10-16(2)11-13/h8,10-11,14H,3-7,9,12H2,1-2H3
InChIKeyXGVUHQNVJFOTSR-UHFFFAOYSA-N
XLogP2.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
1-(3-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83056229
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 112692580
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
1-(5-fluoro-2-methoxyphenyl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83043920
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-propylphenyl)ethanone
CID 116635374
1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103196954
1-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 104751033
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
2-[2-(hydroxymethyl)azepan-1-yl]-1-(4-methylphenyl)ethanone
CID 116635378

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone (CID 83055820) is 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone is CCCC1CCCCN1CC(=O)c1ccn(C)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
The InChIKey is XGVUHQNVJFOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-6-14-7-4-5-9-17(14)12-15(18)13-8-10-16(2)11-13/h8,10-11,14H,3-7,9,12H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone?
1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)-2-(2-propylpiperidin-1-yl)ethanone is sourced from PubChem (CID 83055820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).