1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C18H29N3O2 — CID 113182299

IUPAC1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(CCC3=CCCCC3)C2)CC1
InChIInChI=1S/C18H29N3O2/c1-19-9-11-20(12-10-19)18(23)16-13-17(22)21(14-16)8-7-15-5-3-2-4-6-15/h5,16H,2-4,6-14H2,1H3
InChIKeyIEUBJVUQYMUESB-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 113182299) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID113182299
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCN1CCN(C(=O)C2CC(=O)N(CCC3=CCCCC3)C2)CC1
InChIInChI=1S/C18H29N3O2/c1-19-9-11-20(12-10-19)18(23)16-13-17(22)21(14-16)8-7-15-5-3-2-4-6-15/h5,16H,2-4,6-14H2,1H3
InChIKeyIEUBJVUQYMUESB-UHFFFAOYSA-N
XLogP1.50
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182342
1-[2-(cyclohexen-1-yl)ethyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113182346
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 113182280
1-[2-(cyclohexen-1-yl)ethyl]-4-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 113182433
N,1-bis[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182291
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
1-[2-(cyclohexen-1-yl)ethyl]-5-oxo-N-pentylpyrrolidine-3-carboxamide
CID 113182353
N-(4-acetylphenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182414
1-[2-(cyclohexen-1-yl)ethyl]-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182437
4-amino-1-[2-(cyclohexen-1-yl)ethyl]pyrrolidin-2-one
CID 82158446
N-(3-acetamidophenyl)-1-[2-(cyclohexen-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113182415
cyclobutyl-[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]methanone
CID 113073170

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 113182299) is 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CN1CCN(C(=O)C2CC(=O)N(CCC3=CCCCC3)C2)CC1.
What is the InChIKey of 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IEUBJVUQYMUESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-19-9-11-20(12-10-19)18(23)16-13-17(22)21(14-16)8-7-15-5-3-2-4-6-15/h5,16H,2-4,6-14H2,1H3.
What are the key properties of 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexen-1-yl)ethyl]-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 113182299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).