4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide

C13H19N3O2 — CID 119387080

IUPAC4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CCNCC2)n(C)c1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-7-12(16(2)8-10)13(18)15-11-3-5-14-6-4-11/h7-8,11,14H,3-6H2,1-2H3,(H,15,18)
InChIKeyZTALTRQTGMGKGW-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.71
Rot. Bonds3

About 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide

4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 119387080) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID119387080
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NC2CCNCC2)n(C)c1
InChIInChI=1S/C13H19N3O2/c1-9(17)10-7-12(16(2)8-10)13(18)15-11-3-5-14-6-4-11/h7-8,11,14H,3-6H2,1-2H3,(H,15,18)
InChIKeyZTALTRQTGMGKGW-UHFFFAOYSA-N
XLogP0.71
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62379331
4-chloro-1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrrole-2-carboxamide
CID 79688807
4-acetyl-1-methyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide;hydrochloride
CID 119534734
4-acetyl-1-methyl-N-piperidin-4-yl-N-propylpyrrole-2-carboxamide
CID 119823974
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995
cis-methyl (1S,2R)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylate
CID 99599427
[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
CID 27188579
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
3-tert-butyl-1-methyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 119389510
1-methyl-4-piperidin-1-ylsulfonyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 119450319
N-(azepan-4-yl)-2-methylpyrazole-3-carboxamide
CID 105059420
1-methyl-N-piperidin-4-ylindole-2-carboxamide
CID 110468893

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide (CID 119387080) is 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NC2CCNCC2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is ZTALTRQTGMGKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(17)10-7-12(16(2)8-10)13(18)15-11-3-5-14-6-4-11/h7-8,11,14H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide?
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 119387080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).