2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide

C21H21N3O3 — CID 9271763

IUPAC2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C21H21N3O3/c25-19(22-23-11-5-2-6-12-23)16-9-10-17-18(13-16)21(27)24(20(17)26)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,25)
InChIKeyRSJAZDLLGZUISP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.61
Rot. Bonds4

About 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide

2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide (PubChem CID 9271763) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
PubChem CID9271763
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C21H21N3O3/c25-19(22-23-11-5-2-6-12-23)16-9-10-17-18(13-16)21(27)24(20(17)26)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,25)
InChIKeyRSJAZDLLGZUISP-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.61
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-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-benzyl-1,3-dioxo-N-(2-pyrrolidin-1-ylphenyl)isoindole-5-carboxamide
CID 55360543
2-benzyl-N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-1,3-dioxoisoindole-5-carboxamide
CID 55342530
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
2-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]-5-chlorobenzoic acid
CID 155532441
2-benzyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)isoindole-1,3-dione
CID 56543109
N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
2-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 120944500
2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
CID 9292976

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide (CID 9271763) is 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide is O=C(NN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide?
The InChIKey is RSJAZDLLGZUISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-19(22-23-11-5-2-6-12-23)16-9-10-17-18(13-16)21(27)24(20(17)26)14-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,22,25).
What are the key properties of 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide?
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide is sourced from PubChem (CID 9271763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).