N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

C23H25N3O3 — CID 120575581

IUPACN-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C23H25N3O3/c1-15-20(8-5-12-24-15)25-21(27)17-9-10-18-19(14-17)23(29)26(22(18)28)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,20,24H,5,8,11-13H2,1H3,(H,25,27)
InChIKeyYLCOSYWQPURDSQ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.40
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide

N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (PubChem CID 120575581) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
PubChem CID120575581
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
SMILESCC1NCCCC1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
InChIInChI=1S/C23H25N3O3/c1-15-20(8-5-12-24-15)25-21(27)17-9-10-18-19(14-17)23(29)26(22(18)28)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,20,24H,5,8,11-13H2,1H3,(H,25,27)
InChIKeyYLCOSYWQPURDSQ-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide (CID 120575581) is N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is CC1NCCCC1NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
The InChIKey is YLCOSYWQPURDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-20(8-5-12-24-15)25-21(27)17-9-10-18-19(14-17)23(29)26(22(18)28)13-11-16-6-3-2-4-7-16/h2-4,6-7,9-10,14-15,20,24H,5,8,11-13H2,1H3,(H,25,27).
What are the key properties of N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide?
N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 120575581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).