4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde

C19H22N4O4 — CID 156798922

IUPAC4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(C=O)CC3)cc21
InChIInChI=1S/C19H22N4O4/c1-21-16-10-13(12-6-8-22(11-24)9-7-12)2-3-14(16)23(19(21)27)15-4-5-17(25)20-18(15)26/h2-3,10-12,15H,4-9H2,1H3,(H,20,25,26)
InChIKeySVJLZDDHWPTYOB-UHFFFAOYSA-N
MW370.41 g/mol
LogP0.65
Rot. Bonds3

About 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde

4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde (PubChem CID 156798922) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
PubChem CID156798922
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(C=O)CC3)cc21
InChIInChI=1S/C19H22N4O4/c1-21-16-10-13(12-6-8-22(11-24)9-7-12)2-3-14(16)23(19(21)27)15-4-5-17(25)20-18(15)26/h2-3,10-12,15H,4-9H2,1H3,(H,20,25,26)
InChIKeySVJLZDDHWPTYOB-UHFFFAOYSA-N
XLogP0.65
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 50.65
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

3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 155405525
3-[3-methyl-5-[1-(methylaminomethyl)piperidin-4-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 168900516
3-[3-methyl-2-oxo-5-[1-[[(3S)-pyrrolidin-3-yl]methyl]piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320528
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-[5-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166471896
tert-butyl 4-[2-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]acetyl]piperazine-1-carboxylate
CID 172592486
3-[3-methyl-5-[1-[[4-[2-(methylamino)ethoxy]cyclohexyl]methyl]piperidin-4-yl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166118276
3-(3-methyl-2-oxo-5-propan-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 138727887
3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
(3R)-3-(3-methyl-2-oxo-5-piperazin-1-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170706486
3-[5-[1-(2-azaspiro[3.5]nonan-7-yl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175726005
tert-butyl 6-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 176911941

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde?
The IUPAC name of 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde (CID 156798922) is 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde.
What is the SMILES notation for 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde?
The canonical SMILES for 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCN(C=O)CC3)cc21.
What is the InChIKey of 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde?
The InChIKey is SVJLZDDHWPTYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-21-16-10-13(12-6-8-22(11-24)9-7-12)2-3-14(16)23(19(21)27)15-4-5-17(25)20-18(15)26/h2-3,10-12,15H,4-9H2,1H3,(H,20,25,26).
What are the key properties of 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde?
4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde has a molecular weight of 370.41 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]piperidine-1-carbaldehyde is sourced from PubChem (CID 156798922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).