2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

C15H24N2O — CID 63158466

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCC1(C)CCN(CC(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2)6-9-17(10-7-15)12-14(18)13-5-8-16(3)11-13/h5,8,11H,4,6-7,9-10,12H2,1-3H3
InChIKeyHYRZAVZDZCPORO-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.72
Rot. Bonds4

About 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone

2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (PubChem CID 63158466) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
PubChem CID63158466
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone
SMILESCCC1(C)CCN(CC(=O)c2ccn(C)c2)CC1
InChIInChI=1S/C15H24N2O/c1-4-15(2)6-9-17(10-7-15)12-14(18)13-5-8-16(3)11-13/h5,8,11H,4,6-7,9-10,12H2,1-3H3
InChIKeyHYRZAVZDZCPORO-UHFFFAOYSA-N
XLogP2.72
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone (CID 63158466) is 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is CCC1(C)CCN(CC(=O)c2ccn(C)c2)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
The InChIKey is HYRZAVZDZCPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-15(2)6-9-17(10-7-15)12-14(18)13-5-8-16(3)11-13/h5,8,11H,4,6-7,9-10,12H2,1-3H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone?
2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-1-(1-methylpyrrol-3-yl)ethanone is sourced from PubChem (CID 63158466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).