2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide

C28H37ClN4O4S — CID 146368152

IUPAC2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2cccc(Cl)c2)CCC1=O.CCC(C(N)=O)N1CC(c2ccsc2)CCC1=O
InChIInChI=1S/C15H19ClN2O2.C13H18N2O2S/c1-2-13(15(17)20)18-9-11(6-7-14(18)19)10-4-3-5-12(16)8-10;1-2-11(13(14)17)15-7-9(3-4-12(15)16)10-5-6-18-8-10/h3-5,8,11,13H,2,6-7,9H2,1H3,(H2,17,20);5-6,8-9,11H,2-4,7H2,1H3,(H2,14,17)
InChIKeyMUCCJTXCZVVWCQ-UHFFFAOYSA-N
MW561.15 g/mol
LogP4.03
Rot. Bonds8

About 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide

2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide (PubChem CID 146368152) has the molecular formula C28H37ClN4O4S and a molecular weight of 561.15 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide
PubChem CID146368152
Molecular FormulaC28H37ClN4O4S
Molecular Weight561.15 g/mol
Exact Mass560.22
IUPAC Name2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide
SMILESCCC(C(N)=O)N1CC(c2cccc(Cl)c2)CCC1=O.CCC(C(N)=O)N1CC(c2ccsc2)CCC1=O
InChIInChI=1S/C15H19ClN2O2.C13H18N2O2S/c1-2-13(15(17)20)18-9-11(6-7-14(18)19)10-4-3-5-12(16)8-10;1-2-11(13(14)17)15-7-9(3-4-12(15)16)10-5-6-18-8-10/h3-5,8,11,13H,2,6-7,9H2,1H3,(H2,17,20);5-6,8-9,11H,2-4,7H2,1H3,(H2,14,17)
InChIKeyMUCCJTXCZVVWCQ-UHFFFAOYSA-N
XLogP4.03
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.15
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(3-chlorophenyl)-5-oxomorpholin-4-yl]butanoate
CID 139647180
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
ethyl 4-(2,6-dioxo-4-thiophen-3-ylpiperidin-1-yl)-2-ethylbutanoate
CID 67900163
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]acetate
CID 54921027
[(2R,3S)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidin-3-yl]methyl acetate
CID 100619884
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
(3-chlorophenyl)-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51728774
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
CID 155949173
1-[2-[(3S)-3-(3-chlorophenyl)pyrrolidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97270431
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide?
The IUPAC name of 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide (CID 146368152) is 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide is CCC(C(N)=O)N1CC(c2cccc(Cl)c2)CCC1=O.CCC(C(N)=O)N1CC(c2ccsc2)CCC1=O.
What is the InChIKey of 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide?
The InChIKey is MUCCJTXCZVVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.C13H18N2O2S/c1-2-13(15(17)20)18-9-11(6-7-14(18)19)10-4-3-5-12(16)8-10;1-2-11(13(14)17)15-7-9(3-4-12(15)16)10-5-6-18-8-10/h3-5,8,11,13H,2,6-7,9H2,1H3,(H2,17,20);5-6,8-9,11H,2-4,7H2,1H3,(H2,14,17).
What are the key properties of 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide?
2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide has a molecular weight of 561.15 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-2-oxopiperidin-1-yl]butanamide;2-(2-oxo-5-thiophen-3-ylpiperidin-1-yl)butanamide is sourced from PubChem (CID 146368152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).