2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide

C22H22ClN3O3 — CID 69277588

IUPAC2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H22ClN3O3/c23-16-5-4-6-17(14-16)26-21(28)18-8-7-15(13-19(18)22(26)29)20(27)24-9-12-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12H2,(H,24,27)
InChIKeyMZIGOAYKJKVAFW-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide

2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide (PubChem CID 69277588) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
PubChem CID69277588
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide
SMILESO=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C22H22ClN3O3/c23-16-5-4-6-17(14-16)26-21(28)18-8-7-15(13-19(18)22(26)29)20(27)24-9-12-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12H2,(H,24,27)
InChIKeyMZIGOAYKJKVAFW-UHFFFAOYSA-N
XLogP3.36
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.36
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

3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
2-(2-fluorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24783489
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-1,3-dioxoisoindole-5-carboxamide
CID 24784519
2-(2-fluorophenyl)-1,3-dioxo-N-(3-pyrrolidin-1-ylpropyl)isoindole-5-carboxamide;hydrochloride
CID 24783746
2-[(3-methylphenyl)methyl]-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide;hydrochloride
CID 24786050
2-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 69279118
3-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 669179
N-[3-(azepan-1-yl)propyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 30942271
5-[(3-chlorophenyl)methyl]-6,11-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
CID 3512872
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
2-[(3-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 24785779

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide (CID 69277588) is 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide is O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide?
The InChIKey is MZIGOAYKJKVAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-16-5-4-6-17(14-16)26-21(28)18-8-7-15(13-19(18)22(26)29)20(27)24-9-12-25-10-2-1-3-11-25/h4-8,13-14H,1-3,9-12H2,(H,24,27).
What are the key properties of 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide?
2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1,3-dioxo-N-(2-piperidin-1-ylethyl)isoindole-5-carboxamide is sourced from PubChem (CID 69277588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).