N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide

C24H27N3O3 — CID 10069858

IUPACN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)
InChIKeyIYQDVAQDSMLFBE-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.54
Rot. Bonds6

About N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide

N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide (PubChem CID 10069858) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide
PubChem CID10069858
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O
InChIInChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28)
InChIKeyIYQDVAQDSMLFBE-UHFFFAOYSA-N
XLogP3.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.54
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-5-yl]acetamide?
The IUPAC name of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide (CID 10069858) is N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(=O)N(CCC1CCN(Cc3ccccc3)CC1)C2=O.
What is the InChIKey of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide?
The InChIKey is IYQDVAQDSMLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(28)25-20-7-8-21-22(15-20)24(30)27(23(21)29)14-11-18-9-12-26(13-10-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,28).
What are the key properties of N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide?
N-[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1,3-dioxoisoindol-5-yl]acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.54, 6 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-5-yl]acetamide is sourced from PubChem (CID 10069858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).