3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

C18H30N2O2 — CID 13496336

IUPAC3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CCN2CCCCC2)(C2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h15H,2-14H2,1H3
InChIKeyYLSSEDGZCVKCOU-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds4

About 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione

3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 13496336) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID13496336
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
SMILESCN1C(=O)CC(CCN2CCCCC2)(C2CCCCC2)C1=O
InChIInChI=1S/C18H30N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h15H,2-14H2,1H3
InChIKeyYLSSEDGZCVKCOU-UHFFFAOYSA-N
XLogP2.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 3063422
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3-(2-methoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 45187469
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244839
3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246101
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
1-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 141389881
1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111821
(2-methylphenyl)-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776068
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
1-methyl-2-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 59939510
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione (CID 13496336) is 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is CN1C(=O)CC(CCN2CCCCC2)(C2CCCCC2)C1=O.
What is the InChIKey of 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is YLSSEDGZCVKCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-19-16(21)14-18(17(19)22,15-8-4-2-5-9-15)10-13-20-11-6-3-7-12-20/h15H,2-14H2,1H3.
What are the key properties of 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione?
3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 306.45 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-methyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 13496336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).