N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide

C29H29N3O3 — CID 10389859

IUPACN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O)c1ccccc1
InChIInChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
InChIKeyZVWREYPHISEIQV-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.84
Rot. Bonds7

About N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide

N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide (PubChem CID 10389859) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide
PubChem CID10389859
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide
SMILESO=C(Nc1cccc2c1C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O)c1ccccc1
InChIInChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33)
InChIKeyZVWREYPHISEIQV-UHFFFAOYSA-N
XLogP4.84
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.84
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 N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide?
The IUPAC name of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide (CID 10389859) is N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide.
What is the SMILES notation for N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide?
The canonical SMILES for N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide is O=C(Nc1cccc2c1C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide?
The InChIKey is ZVWREYPHISEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-27(23-10-5-2-6-11-23)30-25-13-7-12-24-26(25)29(35)32(28(24)34)19-16-21-14-17-31(18-15-21)20-22-8-3-1-4-9-22/h1-13,21H,14-20H2,(H,30,33).
What are the key properties of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide?
N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide has a molecular weight of 467.57 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-4-yl]benzamide is sourced from PubChem (CID 10389859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).