2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide

C20H25N3O5 — CID 167151611

IUPAC2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCC(=O)CC2)cc1C=O
InChIInChI=1S/C20H25N3O5/c1-21-19(27)18(4-3-11-24)22(2)20(28)17-6-5-15(12-14(17)13-25)23-9-7-16(26)8-10-23/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H,21,27)
InChIKeyLRJWFUOXEXOQLH-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.83
Rot. Bonds8

About 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide

2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide (PubChem CID 167151611) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
PubChem CID167151611
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide
SMILESCNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCC(=O)CC2)cc1C=O
InChIInChI=1S/C20H25N3O5/c1-21-19(27)18(4-3-11-24)22(2)20(28)17-6-5-15(12-14(17)13-25)23-9-7-16(26)8-10-23/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H,21,27)
InChIKeyLRJWFUOXEXOQLH-UHFFFAOYSA-N
XLogP0.83
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The IUPAC name of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide (CID 167151611) is 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide.
What is the SMILES notation for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The canonical SMILES for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide is CNC(=O)C(CCC=O)N(C)C(=O)c1ccc(N2CCC(=O)CC2)cc1C=O.
What is the InChIKey of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
The InChIKey is LRJWFUOXEXOQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-21-19(27)18(4-3-11-24)22(2)20(28)17-6-5-15(12-14(17)13-25)23-9-7-16(26)8-10-23/h5-6,11-13,18H,3-4,7-10H2,1-2H3,(H,21,27).
What are the key properties of 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide?
2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide has a molecular weight of 387.44 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]-4-(4-oxopiperidin-1-yl)benzamide is sourced from PubChem (CID 167151611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).