N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide

C30H29N3O4 — CID 41305590

IUPACN-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1
InChIInChI=1S/C30H29N3O4/c34-27(31-20-22-9-5-2-6-10-22)23-14-16-32(17-15-23)28(35)24-11-12-25-26(19-24)30(37)33(29(25)36)18-13-21-7-3-1-4-8-21/h1-12,19,23H,13-18,20H2,(H,31,34)
InChIKeyWQYIWZYZUSQAFJ-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.69
Rot. Bonds7

About N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide

N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 41305590) has the molecular formula C30H29N3O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide
PubChem CID41305590
Molecular FormulaC30H29N3O4
Molecular Weight495.58 g/mol
Exact Mass495.22
IUPAC NameN-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1
InChIInChI=1S/C30H29N3O4/c34-27(31-20-22-9-5-2-6-10-22)23-14-16-32(17-15-23)28(35)24-11-12-25-26(19-24)30(37)33(29(25)36)18-13-21-7-3-1-4-8-21/h1-12,19,23H,13-18,20H2,(H,31,34)
InChIKeyWQYIWZYZUSQAFJ-UHFFFAOYSA-N
XLogP3.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.69
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

5-(4-hydroxypiperidine-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 78802542
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
5-(2-methylmorpholine-4-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 51293162
2-benzyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)isoindole-1,3-dione
CID 56543109
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
1-(2-butyl-1,3-dioxoisoindole-5-carbonyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 55986516
5-(2,3-dihydroindole-1-carbonyl)-2-(2-phenylethyl)isoindole-1,3-dione
CID 43010471
5-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]-2-(2-phenylethyl)isoindole-1,3-dione
CID 172640834
1-(4-bromobenzoyl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 27670954
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
1-(3,4-difluorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 113004061
N-benzyl-1-(3-fluoro-4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 154842062

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide (CID 41305590) is N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide is O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)CC1.
What is the InChIKey of N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is WQYIWZYZUSQAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O4/c34-27(31-20-22-9-5-2-6-10-22)23-14-16-32(17-15-23)28(35)24-11-12-25-26(19-24)30(37)33(29(25)36)18-13-21-7-3-1-4-8-21/h1-12,19,23H,13-18,20H2,(H,31,34).
What are the key properties of N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide?
N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[1,3-dioxo-2-(2-phenylethyl)isoindole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 41305590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).