2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide

C23H32N4O4 — CID 108560333

IUPAC2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1
InChIInChI=1S/C23H32N4O4/c1-6-25(7-2)22(31)26-12-10-16(11-13-26)24-19(28)15-8-9-17-18(14-15)21(30)27(20(17)29)23(3,4)5/h8-9,14,16H,6-7,10-13H2,1-5H3,(H,24,28)
InChIKeyIDEMFNNQVSUTMV-UHFFFAOYSA-N
MW428.53 g/mol
LogP2.74
Rot. Bonds4

About 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide

2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108560333) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID108560333
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC Name2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
SMILESCCN(CC)C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1
InChIInChI=1S/C23H32N4O4/c1-6-25(7-2)22(31)26-12-10-16(11-13-26)24-19(28)15-8-9-17-18(14-15)21(30)27(20(17)29)23(3,4)5/h8-9,14,16H,6-7,10-13H2,1-5H3,(H,24,28)
InChIKeyIDEMFNNQVSUTMV-UHFFFAOYSA-N
XLogP2.74
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-N-[1-(2-ethylbutanoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide
CID 108551790
2-tert-butyl-1,3-dioxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]isoindole-5-carboxamide
CID 108551795
N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564583
N,N-diethyl-4-[(3-hydroxybenzoyl)amino]piperidine-1-carboxamide
CID 108562959
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
4-[(3,5-dimethoxybenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559836
prop-2-enyl N-[1-(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)piperidin-4-yl]carbamate
CID 108564579
tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916710
2-tert-butyl-1,3-dioxo-N-[2-(propanoylamino)ethyl]isoindole-5-carboxamide
CID 108540454
4-(2,2-dimethylpropanoylamino)-N,N-diethylpiperidine-1-carboxamide
CID 3694430
2-methyl-1,3-dioxo-N-(1-propylsulfonylpiperidin-4-yl)isoindole-5-carboxamide
CID 46456097
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide (CID 108560333) is 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide is CCN(CC)C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)CC1.
What is the InChIKey of 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IDEMFNNQVSUTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-6-25(7-2)22(31)26-12-10-16(11-13-26)24-19(28)15-8-9-17-18(14-15)21(30)27(20(17)29)23(3,4)5/h8-9,14,16H,6-7,10-13H2,1-5H3,(H,24,28).
What are the key properties of 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide?
2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(diethylcarbamoyl)piperidin-4-yl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108560333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).