N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide

C20H23N3O5 — CID 174298906

IUPACN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
SMILESCN(C(=O)c1cc(N2CCC(CC=O)C2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C20H23N3O5/c1-22(17-4-5-18(26)21-19(17)27)20(28)16-10-15(3-2-14(16)12-25)23-8-6-13(11-23)7-9-24/h2-3,9-10,12-13,17H,4-8,11H2,1H3,(H,21,26,27)
InChIKeyCOVQCTLPKLIPMB-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.79
Rot. Bonds6

About N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide

N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide (PubChem CID 174298906) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
PubChem CID174298906
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide
SMILESCN(C(=O)c1cc(N2CCC(CC=O)C2)ccc1C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C20H23N3O5/c1-22(17-4-5-18(26)21-19(17)27)20(28)16-10-15(3-2-14(16)12-25)23-8-6-13(11-23)7-9-24/h2-3,9-10,12-13,17H,4-8,11H2,1H3,(H,21,26,27)
InChIKeyCOVQCTLPKLIPMB-UHFFFAOYSA-N
XLogP0.79
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[[4-(4-aminophenyl)piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 176966871
tert-butyl 1-[[1-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxylate
CID 167190482
2-[2-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]-3-formylphenyl]-2,7-diazaspiro[3.5]nonan-7-yl]acetic acid
CID 166831880
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
1-N-(cyclohexylmethyl)-3-N-(2,6-dioxopiperidin-3-yl)-4-formyl-3-N-methylbenzene-1,3-dicarboxamide
CID 167275653
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2-formyl-N-methyl-5-(4-piperidin-4-ylpiperidin-1-yl)benzamide
CID 167091351
4-[4-[[1-[(1E,3E)-1,4-diamino-4-(octanoylamino)buta-1,3-dienyl]piperidin-4-yl]methyl]piperazin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166998855
N-(2,6-dioxopiperidin-3-yl)-2-formyl-5-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 178155469
4-(azetidin-3-ylmethoxy)-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166694940
2-chloro-4-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)benzonitrile;N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-[4-[[4-(4-formylphenyl)piperidin-1-yl]methyl]piperidin-1-yl]-N-methylbenzamide
CID 156709654
5-[3-[3-[4-[1-[4-[[5-chloro-4-(2-dimethylphosphorylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperidin-4-yl]piperazin-1-yl]propyl]azetidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methylbenzamide
CID 166947663

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide (CID 174298906) is N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide is CN(C(=O)c1cc(N2CCC(CC=O)C2)ccc1C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide?
The InChIKey is COVQCTLPKLIPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-22(17-4-5-18(26)21-19(17)27)20(28)16-10-15(3-2-14(16)12-25)23-8-6-13(11-23)7-9-24/h2-3,9-10,12-13,17H,4-8,11H2,1H3,(H,21,26,27).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide?
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide has a molecular weight of 385.42 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-5-[3-(2-oxoethyl)pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 174298906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).