4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide

C22H23N3O3 — CID 168519610

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O3/c26-20(23-12-15-24-13-4-1-5-14-24)16-8-10-17(11-9-16)25-21(27)18-6-2-3-7-19(18)22(25)28/h2-3,6-11H,1,4-5,12-15H2,(H,23,26)
InChIKeyIPHPZBFUADMEBU-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.70
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide

4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide (PubChem CID 168519610) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
PubChem CID168519610
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H23N3O3/c26-20(23-12-15-24-13-4-1-5-14-24)16-8-10-17(11-9-16)25-21(27)18-6-2-3-7-19(18)22(25)28/h2-3,6-11H,1,4-5,12-15H2,(H,23,26)
InChIKeyIPHPZBFUADMEBU-UHFFFAOYSA-N
XLogP2.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.70
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-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
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 108762001
4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 17234242
N-(3-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 11630984
N-(4-piperidin-1-ylbutyl)-4-pyrrol-1-ylbenzamide
CID 110440991
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
N-[2-(azepan-1-yl)ethyl]-4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzamide
CID 50846272
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
4-(2,5-dioxo-3-piperidin-1-ylpyrrol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50845783
4-(1,3-dioxoisoindol-2-yl)-N-prop-2-enylbenzamide
CID 2254820
4-(1,3-dioxoisoindol-2-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870691

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide (CID 168519610) is 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide is O=C(NCCN1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide?
The InChIKey is IPHPZBFUADMEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c26-20(23-12-15-24-13-4-1-5-14-24)16-8-10-17(11-9-16)25-21(27)18-6-2-3-7-19(18)22(25)28/h2-3,6-11H,1,4-5,12-15H2,(H,23,26).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide has a molecular weight of 377.44 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide is sourced from PubChem (CID 168519610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).