1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C14H21N3O2 — CID 72926436

IUPAC1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C14H21N3O2/c1-12(18)17-9-4-5-13(11-17)14(19)15-6-10-16-7-2-3-8-16/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,15,19)
InChIKeyUGGVVAGCBUMRAD-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.86
Rot. Bonds4

About 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72926436) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID72926436
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCn2cccc2)C1
InChIInChI=1S/C14H21N3O2/c1-12(18)17-9-4-5-13(11-17)14(19)15-6-10-16-7-2-3-8-16/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,15,19)
InChIKeyUGGVVAGCBUMRAD-UHFFFAOYSA-N
XLogP0.86
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 72926436) is 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCn2cccc2)C1.
What is the InChIKey of 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is UGGVVAGCBUMRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-12(18)17-9-4-5-13(11-17)14(19)15-6-10-16-7-2-3-8-16/h2-3,7-8,13H,4-6,9-11H2,1H3,(H,15,19).
What are the key properties of 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72926436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).