1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone

C16H26N2O — CID 62734991

IUPAC1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
SMILESCCC1(C)CCN(CC(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H26N2O/c1-5-16(4)6-8-18(9-7-16)11-15(19)14-10-12(2)17-13(14)3/h10,17H,5-9,11H2,1-4H3
InChIKeyVPLRWRBCEWRJGY-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.33
Rot. Bonds4

About 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone

1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone (PubChem CID 62734991) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
PubChem CID62734991
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone
SMILESCCC1(C)CCN(CC(=O)c2cc(C)[nH]c2C)CC1
InChIInChI=1S/C16H26N2O/c1-5-16(4)6-8-18(9-7-16)11-15(19)14-10-12(2)17-13(14)3/h10,17H,5-9,11H2,1-4H3
InChIKeyVPLRWRBCEWRJGY-UHFFFAOYSA-N
XLogP3.33
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone (CID 62734991) is 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone is CCC1(C)CCN(CC(=O)c2cc(C)[nH]c2C)CC1.
What is the InChIKey of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
The InChIKey is VPLRWRBCEWRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-16(4)6-8-18(9-7-16)11-15(19)14-10-12(2)17-13(14)3/h10,17H,5-9,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone?
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62734991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).