1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C14H21N3O2 — CID 72936372

IUPAC1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCn2cccc2)CCC1=O
InChIInChI=1S/C14H21N3O2/c1-2-17-11-12(5-6-13(17)18)14(19)15-7-10-16-8-3-4-9-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,15,19)
InChIKeyVHNBMIHNPCBJFW-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds5

About 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72936372) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID72936372
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCCN1CC(C(=O)NCCn2cccc2)CCC1=O
InChIInChI=1S/C14H21N3O2/c1-2-17-11-12(5-6-13(17)18)14(19)15-7-10-16-8-3-4-9-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,15,19)
InChIKeyVHNBMIHNPCBJFW-UHFFFAOYSA-N
XLogP0.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 72936372) is 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is CCN1CC(C(=O)NCCn2cccc2)CCC1=O.
What is the InChIKey of 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is VHNBMIHNPCBJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-17-11-12(5-6-13(17)18)14(19)15-7-10-16-8-3-4-9-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,15,19).
What are the key properties of 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxo-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72936372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).