5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide

C19H25N3O2S — CID 129336614

IUPAC5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCc2cccs2)n1C
InChIInChI=1S/C19H25N3O2S/c1-14(23)22-12-4-3-7-17(22)16-8-9-18(21(16)2)19(24)20-11-10-15-6-5-13-25-15/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyQWOJDEXOULMZTK-QGZVFWFLSA-N
MW359.50 g/mol
LogP3.13
Rot. Bonds5

About 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide

5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 129336614) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID129336614
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCc2cccs2)n1C
InChIInChI=1S/C19H25N3O2S/c1-14(23)22-12-4-3-7-17(22)16-8-9-18(21(16)2)19(24)20-11-10-15-6-5-13-25-15/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyQWOJDEXOULMZTK-QGZVFWFLSA-N
XLogP3.13
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
CID 129330093
5-(1-acetylpiperidin-2-yl)-N-(2-cyclopentyloxyethyl)-1-methylpyrrole-2-carboxamide
CID 129002083
5-(1-acetylpiperidin-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpyrrole-2-carboxamide
CID 129002082
2-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 95342533
5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide
CID 129331568
1-methyl-1-(1-methylpiperidin-4-yl)-3-(2-thiophen-2-ylethyl)urea
CID 59684905
N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129340562
(2R)-2,3-dihydroxy-4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 143155588
2-[2-(hydroxymethyl)azepan-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 116637722
(8R)-7-acetyl-8-methyl-N-(2-thiophen-2-ylethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 124798619
(2R,3R)-2,3-dihydroxy-4-[(2S)-2-(4-methylcycloheptyl)pyrrolidin-1-yl]-4-oxo-N-(2-thiophen-2-ylethyl)butanamide
CID 143153799
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-carboxamide
CID 110765387

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide (CID 129336614) is 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)NCCc2cccs2)n1C.
What is the InChIKey of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is QWOJDEXOULMZTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14(23)22-12-4-3-7-17(22)16-8-9-18(21(16)2)19(24)20-11-10-15-6-5-13-25-15/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide?
5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 129336614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).