2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide

C24H27N3O3 — CID 9292976

IUPAC2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C24H27N3O3/c1-2-12-26-13-10-19(11-14-26)25-22(28)18-8-9-20-21(15-18)24(30)27(23(20)29)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,25,28)
InChIKeyXAPXJOCLPYJGBN-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.09
Rot. Bonds6

About 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide

2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide (PubChem CID 9292976) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
PubChem CID9292976
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide
SMILESCCCN1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1
InChIInChI=1S/C24H27N3O3/c1-2-12-26-13-10-19(11-14-26)25-22(28)18-8-9-20-21(15-18)24(30)27(23(20)29)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,25,28)
InChIKeyXAPXJOCLPYJGBN-UHFFFAOYSA-N
XLogP3.09
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.09
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

N-(4-aminocyclohexyl)-2-benzyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119475030
cis-(1R,3S)-3-[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678402
2-benzyl-N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 34281206
2-benzyl-1,3-dioxoisoindole-5-carboxylic acid
CID 748193
2-benzyl-N-(cyclopropylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 33451204
N-(1-benzylpiperidin-4-yl)-4-methyl-9-oxo-1,2,3,3a-tetrahydropyrrolo[2,1-b]quinazoline-6-carboxamide
CID 122172201
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
2-benzyl-N-methylsulfonyl-1,3-dioxoisoindole-5-carboxamide
CID 146154199
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742
2-butyl-N-(4-hydroxycyclohexyl)-1,3-dioxoisoindole-5-carboxamide
CID 78767376
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
CID 9271763

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide?
The IUPAC name of 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide (CID 9292976) is 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide is CCCN1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1.
What is the InChIKey of 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide?
The InChIKey is XAPXJOCLPYJGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-12-26-13-10-19(11-14-26)25-22(28)18-8-9-20-21(15-18)24(30)27(23(20)29)16-17-6-4-3-5-7-17/h3-9,15,19H,2,10-14,16H2,1H3,(H,25,28).
What are the key properties of 2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide?
2-benzyl-1,3-dioxo-N-(1-propylpiperidin-4-yl)isoindole-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.09, 6 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-(1-propylpiperidin-4-yl)isoindole-5-carboxamide is sourced from PubChem (CID 9292976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).