N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

C30H30ClN3O4 — CID 45180898

IUPACN-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C30H30ClN3O4/c31-25-11-5-4-9-23(25)20-34-29(37)24-10-6-12-26(27(24)30(34)38)32-15-13-22(14-16-32)28(36)33(17-18-35)19-21-7-2-1-3-8-21/h1-12,22,35H,13-20H2
InChIKeyYHYKBXPOZFYLAC-UHFFFAOYSA-N
MW532.04 g/mol
LogP4.37
Rot. Bonds8

About N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide

N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 45180898) has the molecular formula C30H30ClN3O4 and a molecular weight of 532.04 g/mol. Its IUPAC name is N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID45180898
Molecular FormulaC30H30ClN3O4
Molecular Weight532.04 g/mol
Exact Mass531.19
IUPAC NameN-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C30H30ClN3O4/c31-25-11-5-4-9-23(25)20-34-29(37)24-10-6-12-26(27(24)30(34)38)32-15-13-22(14-16-32)28(36)33(17-18-35)19-21-7-2-1-3-8-21/h1-12,22,35H,13-20H2
InChIKeyYHYKBXPOZFYLAC-UHFFFAOYSA-N
XLogP4.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.04
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 45180898) is N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(C1CCN(c2cccc3c2C(=O)N(Cc2ccccc2Cl)C3=O)CC1)N(CCO)Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is YHYKBXPOZFYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN3O4/c31-25-11-5-4-9-23(25)20-34-29(37)24-10-6-12-26(27(24)30(34)38)32-15-13-22(14-16-32)28(36)33(17-18-35)19-21-7-2-1-3-8-21/h1-12,22,35H,13-20H2.
What are the key properties of N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 532.04 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 45180898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).