3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione

C15H12ClNO2S — CID 79433782

IUPAC3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2ccsc2)C(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C15H12ClNO2S/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-6,8,12,14H,7H2,(H,17,18,19)
InChIKeyWCJVGCMWBQKZGJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.32
Rot. Bonds2

About 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione

3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione (PubChem CID 79433782) has the molecular formula C15H12ClNO2S and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione
PubChem CID79433782
Molecular FormulaC15H12ClNO2S
Molecular Weight305.79 g/mol
Exact Mass305.03
IUPAC Name3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione
SMILESO=C1CC(c2ccsc2)C(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C15H12ClNO2S/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-6,8,12,14H,7H2,(H,17,18,19)
InChIKeyWCJVGCMWBQKZGJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-3-propan-2-ylpiperidine-2,6-dione
CID 79320660
3-propan-2-yl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79321429
4-(4-bromothiophen-2-yl)-3-phenylpiperidine-2,6-dione
CID 79320189
3-benzyl-4-thiophen-3-ylpiperidine-2,6-dione
CID 79318174
3-(4-chlorophenyl)-4-pyridin-3-ylpiperidine-2,6-dione
CID 79429891
3-(3-chlorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 79429755
3-phenyl-4-pyridin-3-ylpiperidine-2,6-dione
CID 79321168
(2R,3S)-3-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 129366152
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 53032368
(7S)-3-(benzenesulfonyl)-7-(3-chlorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 95055175
(7S)-7-thiophen-3-yl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42553733

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione?
The IUPAC name of 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione (CID 79433782) is 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione is O=C1CC(c2ccsc2)C(c2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione?
The InChIKey is WCJVGCMWBQKZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S/c16-11-3-1-2-9(6-11)14-12(10-4-5-20-8-10)7-13(18)17-15(14)19/h1-6,8,12,14H,7H2,(H,17,18,19).
What are the key properties of 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione?
3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione has a molecular weight of 305.79 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-thiophen-3-ylpiperidine-2,6-dione is sourced from PubChem (CID 79433782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).