N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde

C17H21N3O5S — CID 168987750

IUPACN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
SMILESC=O.Cc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S.CH2O/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23;1-2/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23);1H2
InChIKeyGPMYZMLRYDVWIO-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.58
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde

N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde (PubChem CID 168987750) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
PubChem CID168987750
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde
SMILESC=O.Cc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4S.CH2O/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23;1-2/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23);1H2
InChIKeyGPMYZMLRYDVWIO-UHFFFAOYSA-N
XLogP0.58
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[4-methyl-5-(3-oxopiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 30698517
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-(trifluoromethyl)thiophene-3-carboxamide
CID 156408918
(2-Methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 91216608
2-[methyl-(4-oxocyclohexyl)amino]-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
CID 126624199
5-acetamido-4-N-(2,6-dioxopiperidin-3-yl)-2-N-methylthiophene-2,4-dicarboxamide
CID 156434955
5-acetamido-2-N-methyl-4-N-(6-methylidene-2-oxopiperidin-3-yl)thiophene-2,4-dicarboxamide
CID 156745125
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide
CID 164540214
N-(2,6-dioxopiperidin-3-yl)-2-formamido-5-methylthiophene-3-carboxamide;ethane
CID 166155249
N-[5-cyano-3-[2-[(2,6-dioxopiperidin-3-yl)amino]acetyl]thiophen-2-yl]acetamide
CID 167247839
N-formylformamide;2-(4-oxopiperidin-1-yl)-5-pentan-2-ylthieno[2,3-c]pyrrole-4,6-dione
CID 168987753
N-(2,6-dioxopiperidin-3-yl)-5-methyl-2-(methylamino)thiophene-3-carboxamide
CID 169660482
2-acetamido-N-(2,6-dioxopiperidin-3-yl)-5-ethynylthiophene-3-carboxamide
CID 169660550

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde (CID 168987750) is N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde is C=O.Cc1sc(N2CCC(=O)CC2)cc1C(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde?
The InChIKey is GPMYZMLRYDVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S.CH2O/c1-9-11(8-14(24-9)19-6-4-10(20)5-7-19)15(22)17-12-2-3-13(21)18-16(12)23;1-2/h8,12H,2-7H2,1H3,(H,17,22)(H,18,21,23);1H2.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde?
N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde has a molecular weight of 379.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-methyl-5-(4-oxopiperidin-1-yl)thiophene-3-carboxamide;formaldehyde is sourced from PubChem (CID 168987750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).