4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide

C12H17N3O2 — CID 9083903

IUPAC4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-7-11(13-8-10)12(17)14-15-5-3-2-4-6-15/h7-8,13H,2-6H2,1H3,(H,14,17)
InChIKeyUTPRQZKHEUHONM-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.35
Rot. Bonds3

About 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide

4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide (PubChem CID 9083903) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
PubChem CID9083903
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)10-7-11(13-8-10)12(17)14-15-5-3-2-4-6-15/h7-8,13H,2-6H2,1H3,(H,14,17)
InChIKeyUTPRQZKHEUHONM-UHFFFAOYSA-N
XLogP1.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-piperidin-1-yl-1H-pyrrole-2-carboxamide
CID 83012564
1-[5-(azocane-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 51073647
4-acetyl-N-(4-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 9073769
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
4-acetyl-N-(3-chloro-4-piperidin-1-ylphenyl)-1H-pyrrole-2-carboxamide
CID 86830483
4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103933422
4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide
CID 24545818
4-acetyl-N-[1-(hydroxymethyl)cyclohexyl]-1H-pyrrole-2-carboxamide
CID 62521821
4-acetyl-N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43392898
4-acetyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1H-pyrrole-2-carboxamide
CID 25443905
4-acetyl-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1H-pyrrole-2-carboxamide
CID 24502660
4-acetyl-N-[(2-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 64928677

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide (CID 9083903) is 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NN2CCCCC2)c1.
What is the InChIKey of 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide?
The InChIKey is UTPRQZKHEUHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)10-7-11(13-8-10)12(17)14-15-5-3-2-4-6-15/h7-8,13H,2-6H2,1H3,(H,14,17).
What are the key properties of 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide?
4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-piperidin-1-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9083903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).