1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone

C20H32N2O — CID 110654615

IUPAC1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1cc(C)n(C2CCCC2)c1C
InChIInChI=1S/C20H32N2O/c1-4-17-9-7-8-12-21(17)14-20(23)19-13-15(2)22(16(19)3)18-10-5-6-11-18/h13,17-18H,4-12,14H2,1-3H3
InChIKeyBEQAHOOLKDFESK-UHFFFAOYSA-N
MW316.49 g/mol
LogP4.67
Rot. Bonds5

About 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone

1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone (PubChem CID 110654615) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
PubChem CID110654615
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone
SMILESCCC1CCCCN1CC(=O)c1cc(C)n(C2CCCC2)c1C
InChIInChI=1S/C20H32N2O/c1-4-17-9-7-8-12-21(17)14-20(23)19-13-15(2)22(16(19)3)18-10-5-6-11-18/h13,17-18H,4-12,14H2,1-3H3
InChIKeyBEQAHOOLKDFESK-UHFFFAOYSA-N
XLogP4.67
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone (CID 110654615) is 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone is CCC1CCCCN1CC(=O)c1cc(C)n(C2CCCC2)c1C.
What is the InChIKey of 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
The InChIKey is BEQAHOOLKDFESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-4-17-9-7-8-12-21(17)14-20(23)19-13-15(2)22(16(19)3)18-10-5-6-11-18/h13,17-18H,4-12,14H2,1-3H3.
What are the key properties of 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone?
1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone has a molecular weight of 316.49 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-(2-ethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 110654615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).