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

C19H25N3O2S — CID 129330093

IUPAC5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@@H](C)c2cccs2)n1C
InChIInChI=1S/C19H25N3O2S/c1-13(18-8-6-12-25-18)20-19(24)17-10-9-15(21(17)3)16-7-4-5-11-22(16)14(2)23/h6,8-10,12-13,16H,4-5,7,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1
InChIKeyHKLCRFQDACJAGL-XJKSGUPXSA-N
MW359.50 g/mol
LogP3.65
Rot. Bonds4

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

5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide (PubChem CID 129330093) 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-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
PubChem CID129330093
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide
SMILESCC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@@H](C)c2cccs2)n1C
InChIInChI=1S/C19H25N3O2S/c1-13(18-8-6-12-25-18)20-19(24)17-10-9-15(21(17)3)16-7-4-5-11-22(16)14(2)23/h6,8-10,12-13,16H,4-5,7,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1
InChIKeyHKLCRFQDACJAGL-XJKSGUPXSA-N
XLogP3.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-5-[(2S)-1-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129340562
5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-(2-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 129336614
5-[(2S)-1-acetylpiperidin-2-yl]-1-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]pyrrole-2-carboxamide
CID 129331568
2-[2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]-N-(1-thiophen-2-ylethyl)acetamide
CID 128965274
2-amino-N-[(1R)-1-thiophen-2-ylethyl]cyclohexane-1-carboxamide
CID 81408900
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
tert-butyl (2S)-2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]piperidine-1-carboxylate
CID 97175703
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
N-(1-thiophen-2-ylethyl)-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]acetamide
CID 132971145
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
2-amino-N-(1-thiophen-2-ylethyl)cyclopentane-1-carboxamide
CID 64822918

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide (CID 129330093) is 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide is CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)N[C@@H](C)c2cccs2)n1C.
What is the InChIKey of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
The InChIKey is HKLCRFQDACJAGL-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13(18-8-6-12-25-18)20-19(24)17-10-9-15(21(17)3)16-7-4-5-11-22(16)14(2)23/h6,8-10,12-13,16H,4-5,7,11H2,1-3H3,(H,20,24)/t13-,16+/m0/s1.
What are the key properties of 5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide?
5-[(2R)-1-acetylpiperidin-2-yl]-1-methyl-N-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.65, 4 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-[(1S)-1-thiophen-2-ylethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 129330093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).