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

C24H28ClN3O3 — CID 24786050

IUPAC2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCc1cccc(CN2C(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3C2=O)c1.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-17-6-5-7-18(14-17)16-27-23(29)20-9-8-19(15-21(20)24(27)30)22(28)25-10-13-26-11-3-2-4-12-26;/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,28);1H
InChIKeyRPGNUBTXSYKFBJ-UHFFFAOYSA-N
MW441.96 g/mol
LogP3.43
Rot. Bonds6

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

2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (PubChem CID 24786050) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
PubChem CID24786050
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
SMILESCc1cccc(CN2C(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3C2=O)c1.Cl
InChIInChI=1S/C24H27N3O3.ClH/c1-17-6-5-7-18(14-17)16-27-23(29)20-9-8-19(15-21(20)24(27)30)22(28)25-10-13-26-11-3-2-4-12-26;/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,28);1H
InChIKeyRPGNUBTXSYKFBJ-UHFFFAOYSA-N
XLogP3.43
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.43
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

2-[(3-fluorophenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69277947
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide
CID 69276968
2-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24785779
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
CID 69277588
2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24783489
2-[(3-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24782980
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 24784519
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-benzyl-1,3-dioxo-N-piperidin-1-ylisoindole-5-carboxamide
CID 9271763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The IUPAC name of 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride (CID 24786050) is 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is Cc1cccc(CN2C(=O)c3ccc(C(=O)NCCN4CCCCC4)cc3C2=O)c1.Cl.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
The InChIKey is RPGNUBTXSYKFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3.ClH/c1-17-6-5-7-18(14-17)16-27-23(29)20-9-8-19(15-21(20)24(27)30)22(28)25-10-13-26-11-3-2-4-12-26;/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,25,28);1H.
What are the key properties of 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride?
2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride has a molecular weight of 441.96 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride is sourced from PubChem (CID 24786050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).