N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide

C17H23N3O4 — CID 170247105

IUPACN-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC1=C(C=O)C(C(=O)N(C)C2CCC(=O)NC2=O)=CCC1
InChIInChI=1S/C17H23N3O4/c1-10(2)18-13-6-4-5-11(12(13)9-21)17(24)20(3)14-7-8-15(22)19-16(14)23/h5,9-10,14,18H,4,6-8H2,1-3H3,(H,19,22,23)
InChIKeyWGOZWEHUPPFTGM-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.42
Rot. Bonds5

About N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide

N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 170247105) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
PubChem CID170247105
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC1=C(C=O)C(C(=O)N(C)C2CCC(=O)NC2=O)=CCC1
InChIInChI=1S/C17H23N3O4/c1-10(2)18-13-6-4-5-11(12(13)9-21)17(24)20(3)14-7-8-15(22)19-16(14)23/h5,9-10,14,18H,4,6-8H2,1-3H3,(H,19,22,23)
InChIKeyWGOZWEHUPPFTGM-UHFFFAOYSA-N
XLogP0.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide (CID 170247105) is N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide is CC(C)NC1=C(C=O)C(C(=O)N(C)C2CCC(=O)NC2=O)=CCC1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is WGOZWEHUPPFTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)18-13-6-4-5-11(12(13)9-21)17(24)20(3)14-7-8-15(22)19-16(14)23/h5,9-10,14,18H,4,6-8H2,1-3H3,(H,19,22,23).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 170247105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).