(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

C16H23N3O2S — CID 94103812

IUPAC(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCCC1
InChIInChI=1S/C16H23N3O2S/c20-15(18-7-2-1-3-8-18)11-17-16(21)19-9-4-5-14(19)13-6-10-22-12-13/h6,10,12,14H,1-5,7-9,11H2,(H,17,21)/t14-/m0/s1
InChIKeyKAYOJUJVKNTQCG-AWEZNQCLSA-N
MW321.45 g/mol
LogP2.61
Rot. Bonds3

About (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide

(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (PubChem CID 94103812) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
PubChem CID94103812
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
SMILESO=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCCC1
InChIInChI=1S/C16H23N3O2S/c20-15(18-7-2-1-3-8-18)11-17-16(21)19-9-4-5-14(19)13-6-10-22-12-13/h6,10,12,14H,1-5,7-9,11H2,(H,17,21)/t14-/m0/s1
InChIKeyKAYOJUJVKNTQCG-AWEZNQCLSA-N
XLogP2.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

3-[(2-thiophen-3-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 122019398
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
1-morpholin-4-yl-4-(2-thiophen-3-ylpyrrolidin-1-yl)butane-1,4-dione
CID 47036037
2-(butan-2-ylamino)-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
CID 54871562
N-[3-oxo-3-(2-thiophen-3-ylpyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 47036904
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 97311685
4-methyl-1-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]pentan-1-one
CID 51948019
N'-benzoyl-2-thiophen-3-ylpyrrolidine-1-carbohydrazide
CID 51124417
(2R)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94053971
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
methyl 5-oxo-5-(2-thiophen-3-ylpyrrolidin-1-yl)pentanoate
CID 86792913

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide (CID 94103812) is (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is O=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCCC1.
What is the InChIKey of (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
The InChIKey is KAYOJUJVKNTQCG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O2S/c20-15(18-7-2-1-3-8-18)11-17-16(21)19-9-4-5-14(19)13-6-10-22-12-13/h6,10,12,14H,1-5,7-9,11H2,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide?
(2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-oxo-2-piperidin-1-ylethyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 94103812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).