N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H23N3O2S — CID 53498064

IUPACN-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCCC2c2ccsc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-12(20)18-8-4-14(5-9-18)17-16(21)19-7-2-3-15(19)13-6-10-22-11-13/h6,10-11,14-15H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyRNFXFIMZEZVEGL-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.61
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 53498064) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID53498064
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)N2CCCC2c2ccsc2)CC1
InChIInChI=1S/C16H23N3O2S/c1-12(20)18-8-4-14(5-9-18)17-16(21)19-7-2-3-15(19)13-6-10-22-11-13/h6,10-11,14-15H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyRNFXFIMZEZVEGL-UHFFFAOYSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 53498064) is N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is CC(=O)N1CCC(NC(=O)N2CCCC2c2ccsc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is RNFXFIMZEZVEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-12(20)18-8-4-14(5-9-18)17-16(21)19-7-2-3-15(19)13-6-10-22-11-13/h6,10-11,14-15H,2-5,7-9H2,1H3,(H,17,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 53498064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).