1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide

C25H33N3O3 — CID 118756495

IUPAC1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)C1
InChIInChI=1S/C25H33N3O3/c1-2-15-26-23(29)18-10-9-16-27(17-18)21-14-8-13-20-22(21)25(31)28(24(20)30)19-11-6-4-3-5-7-12-19/h2,8,13-14,18-19H,1,3-7,9-12,15-17H2,(H,26,29)
InChIKeyRXDKTGBUTJNCTE-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.91
Rot. Bonds5

About 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide

1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide (PubChem CID 118756495) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
PubChem CID118756495
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
SMILESC=CCNC(=O)C1CCCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)C1
InChIInChI=1S/C25H33N3O3/c1-2-15-26-23(29)18-10-9-16-27(17-18)21-14-8-13-20-22(21)25(31)28(24(20)30)19-11-6-4-3-5-7-12-19/h2,8,13-14,18-19H,1,3-7,9-12,15-17H2,(H,26,29)
InChIKeyRXDKTGBUTJNCTE-UHFFFAOYSA-N
XLogP3.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 42424487
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
2-cyclooctyl-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42172001
2-cycloheptyl-4-[4-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
CID 42372193
(3R)-1-[2-[(3S)-1,1-dioxothiolan-3-yl]-1,3-dioxoisoindol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 125176357
(3R)-1-[2-[(4R)-2,2-dimethyloxan-4-yl]-1,3-dioxoisoindol-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 42484936
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[2-[(4S)-2,2-dimethyloxan-4-yl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
CID 129426413
(3R)-1-(1-methylbenzimidazol-2-yl)-N-prop-2-enylpiperidine-3-carboxamide
CID 95849384
1-(2-cyclopropyl-1,3-dioxoisoindol-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 42246773
(3S)-1-[1,3-dioxo-2-[[(2S)-oxolan-2-yl]methyl]isoindol-4-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 42472503
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide (CID 118756495) is 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide is C=CCNC(=O)C1CCCN(c2cccc3c2C(=O)N(C2CCCCCCC2)C3=O)C1.
What is the InChIKey of 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
The InChIKey is RXDKTGBUTJNCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-2-15-26-23(29)18-10-9-16-27(17-18)21-14-8-13-20-22(21)25(31)28(24(20)30)19-11-6-4-3-5-7-12-19/h2,8,13-14,18-19H,1,3-7,9-12,15-17H2,(H,26,29).
What are the key properties of 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide?
1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclooctyl-1,3-dioxoisoindol-4-yl)-N-prop-2-enylpiperidine-3-carboxamide is sourced from PubChem (CID 118756495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).