5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one

C14H18N2O2S — CID 51081806

IUPAC5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2c2cccs2)CN1
InChIInChI=1S/C14H18N2O2S/c17-13-6-5-10(9-15-13)14(18)16-7-1-3-11(16)12-4-2-8-19-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,17)
InChIKeyCOFJDNGLTXUVHK-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.94
Rot. Bonds2

About 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one

5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one (PubChem CID 51081806) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
PubChem CID51081806
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCC2c2cccs2)CN1
InChIInChI=1S/C14H18N2O2S/c17-13-6-5-10(9-15-13)14(18)16-7-1-3-11(16)12-4-2-8-19-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,17)
InChIKeyCOFJDNGLTXUVHK-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-phenylpyrrolidine-1-carbonyl)piperidin-2-one
CID 112728798
(5S)-5-[(2S)-2-thiophen-3-ylpyrrolidine-1-carbonyl]piperidin-2-one
CID 94171138
3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550294
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
(3S)-3-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 94184145
(4S)-1-(cyclopropylmethyl)-4-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94091385
4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 78982970
(2-methylpyrrolidin-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 79388678
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365
[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 37023275
(2S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 97012952
[1-(furan-3-carbonyl)piperidin-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 134048550

Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The IUPAC name of 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one (CID 51081806) is 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCC2c2cccs2)CN1.
What is the InChIKey of 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one?
The InChIKey is COFJDNGLTXUVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13-6-5-10(9-15-13)14(18)16-7-1-3-11(16)12-4-2-8-19-12/h2,4,8,10-11H,1,3,5-7,9H2,(H,15,17).
What are the key properties of 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one?
5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one has a molecular weight of 278.38 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylpyrrolidine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 51081806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).