2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride

C23H25Cl2N3O3 — CID 24785781

IUPAC2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C23H24ClN3O3.ClH/c24-18-7-4-16(5-8-18)15-27-22(29)19-9-6-17(14-20(19)23(27)30)21(28)25-10-13-26-11-2-1-3-12-26;/h4-9,14H,1-3,10-13,15H2,(H,25,28);1H
InChIKeyYILUXJQFZSJJIY-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.77
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride

2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (PubChem CID 24785781) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
PubChem CID24785781
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O
InChIInChI=1S/C23H24ClN3O3.ClH/c24-18-7-4-16(5-8-18)15-27-22(29)19-9-6-17(14-20(19)23(27)30)21(28)25-10-13-26-11-2-1-3-12-26;/h4-9,14H,1-3,10-13,15H2,(H,25,28);1H
InChIKeyYILUXJQFZSJJIY-UHFFFAOYSA-N
XLogP3.77
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
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 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (CID 24785781) is 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is Cl.O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccc(Cl)cc1)C2=O.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The InChIKey is YILUXJQFZSJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O3.ClH/c24-18-7-4-16(5-8-18)15-27-22(29)19-9-6-17(14-20(19)23(27)30)21(28)25-10-13-26-11-2-1-3-12-26;/h4-9,14H,1-3,10-13,15H2,(H,25,28);1H.
What are the key properties of 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride has a molecular weight of 462.38 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 24785781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).