1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide

C24H25N3O5 — CID 24819980

IUPAC1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H25N3O5/c1-2-32-20-8-7-15(14-27-23(30)17-5-3-4-6-18(17)24(27)31)13-19(20)22(29)26-11-9-16(10-12-26)21(25)28/h3-8,13,16H,2,9-12,14H2,1H3,(H2,25,28)
InChIKeyWSYYKMCLDGSWQI-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.22
Rot. Bonds6

About 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide

1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide (PubChem CID 24819980) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide
PubChem CID24819980
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide
SMILESCCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C24H25N3O5/c1-2-32-20-8-7-15(14-27-23(30)17-5-3-4-6-18(17)24(27)31)13-19(20)22(29)26-11-9-16(10-12-26)21(25)28/h3-8,13,16H,2,9-12,14H2,1H3,(H2,25,28)
InChIKeyWSYYKMCLDGSWQI-UHFFFAOYSA-N
XLogP2.22
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide (CID 24819980) is 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide is CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide?
The InChIKey is WSYYKMCLDGSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-2-32-20-8-7-15(14-27-23(30)17-5-3-4-6-18(17)24(27)31)13-19(20)22(29)26-11-9-16(10-12-26)21(25)28/h3-8,13,16H,2,9-12,14H2,1H3,(H2,25,28).
What are the key properties of 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide?
1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 24819980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).