4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C27H25N3O3 — CID 108762001

IUPAC4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C27H25N3O3/c31-25(28-21-12-8-19(9-13-21)18-29-16-4-1-5-17-29)20-10-14-22(15-11-20)30-26(32)23-6-2-3-7-24(23)27(30)33/h2-3,6-15H,1,4-5,16-18H2,(H,28,31)
InChIKeyBEMUPRNXNALKBV-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.73
Rot. Bonds5

About 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 108762001) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID108762001
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C27H25N3O3/c31-25(28-21-12-8-19(9-13-21)18-29-16-4-1-5-17-29)20-10-14-22(15-11-20)30-26(32)23-6-2-3-7-24(23)27(30)33/h2-3,6-15H,1,4-5,16-18H2,(H,28,31)
InChIKeyBEMUPRNXNALKBV-UHFFFAOYSA-N
XLogP4.73
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.73
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

4-(1,3-dioxoisoindol-2-yl)-N-(4-ethylphenyl)benzamide
CID 1188829
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
N-[4-(cyanomethyl)phenyl]-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9260093
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
4-[[4-(1,3-dioxoisoindol-2-yl)benzoyl]amino]benzamide
CID 1162393
4-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)benzamide
CID 1068099
4-(1,3-dioxoisoindol-2-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 168519610
methyl 4-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamoyl]benzoate
CID 998530
4-(azepan-1-ylmethyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzamide
CID 38099080
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-4-nitrobenzamide
CID 3956330

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 108762001) is 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is BEMUPRNXNALKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c31-25(28-21-12-8-19(9-13-21)18-29-16-4-1-5-17-29)20-10-14-22(15-11-20)30-26(32)23-6-2-3-7-24(23)27(30)33/h2-3,6-15H,1,4-5,16-18H2,(H,28,31).
What are the key properties of 4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
4-(1,3-dioxoisoindol-2-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.73, 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-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 108762001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).