2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide

C15H25N3O — CID 72877977

IUPAC2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C15H25N3O/c1-2-17-10-5-14(6-11-17)13-15(19)16-7-12-18-8-3-4-9-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,16,19)
InChIKeyYYERUKASPWHDOD-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.73
Rot. Bonds6

About 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide

2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide (PubChem CID 72877977) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
PubChem CID72877977
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide
SMILESCCN1CCC(CC(=O)NCCn2cccc2)CC1
InChIInChI=1S/C15H25N3O/c1-2-17-10-5-14(6-11-17)13-15(19)16-7-12-18-8-3-4-9-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,16,19)
InChIKeyYYERUKASPWHDOD-UHFFFAOYSA-N
XLogP1.73
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide (CID 72877977) is 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide is CCN1CCC(CC(=O)NCCn2cccc2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
The InChIKey is YYERUKASPWHDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-17-10-5-14(6-11-17)13-15(19)16-7-12-18-8-3-4-9-18/h3-4,8-9,14H,2,5-7,10-13H2,1H3,(H,16,19).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide?
2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-N-(2-pyrrol-1-ylethyl)acetamide is sourced from PubChem (CID 72877977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).