4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C18H29N3O2 — CID 3241671

IUPAC4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C18H29N3O2/c1-5-15-8-6-7-10-21(15)11-9-19-18(23)17-12(2)16(14(4)22)13(3)20-17/h15,20H,5-11H2,1-4H3,(H,19,23)
InChIKeyOEOKFEPSDHGSKX-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.83
Rot. Bonds6

About 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3241671) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3241671
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCC1CCCCN1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C18H29N3O2/c1-5-15-8-6-7-10-21(15)11-9-19-18(23)17-12(2)16(14(4)22)13(3)20-17/h15,20H,5-11H2,1-4H3,(H,19,23)
InChIKeyOEOKFEPSDHGSKX-UHFFFAOYSA-N
XLogP2.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3241671) is 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCC1CCCCN1CCNC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is OEOKFEPSDHGSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-5-15-8-6-7-10-21(15)11-9-19-18(23)17-12(2)16(14(4)22)13(3)20-17/h15,20H,5-11H2,1-4H3,(H,19,23).
What are the key properties of 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3241671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).