2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

C12H18N2O — CID 43219442

IUPAC2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C12H18N2O/c1-10-4-3-7-14(8-10)9-12(15)11-5-2-6-13-11/h2,5-6,10,13H,3-4,7-9H2,1H3
InChIKeyHJYPQQZACIJHQK-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.93
Rot. Bonds3

About 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone

2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (PubChem CID 43219442) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
PubChem CID43219442
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
SMILESCC1CCCN(CC(=O)c2ccc[nH]2)C1
InChIInChI=1S/C12H18N2O/c1-10-4-3-7-14(8-10)9-12(15)11-5-2-6-13-11/h2,5-6,10,13H,3-4,7-9H2,1H3
InChIKeyHJYPQQZACIJHQK-UHFFFAOYSA-N
XLogP1.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(3-methoxypyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 103535592
2-(3-propan-2-ylpyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 115688439
2-(4,4-dimethylazepan-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65282626
2-[4-(dimethylamino)piperidin-1-yl]-1-(1H-pyrrol-2-yl)ethanone
CID 43797318
1-(4-methylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5043058
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)ethanone
CID 82051048
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 65319975
2-(3-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
CID 43227667
1-(3,4-dihydroxyphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219441

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone (CID 43219442) is 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is CC1CCCN(CC(=O)c2ccc[nH]2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
The InChIKey is HJYPQQZACIJHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10-4-3-7-14(8-10)9-12(15)11-5-2-6-13-11/h2,5-6,10,13H,3-4,7-9H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone?
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone has a molecular weight of 206.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone is sourced from PubChem (CID 43219442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).