1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

C18H28N2O2 — CID 91921468

IUPAC1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(21)19-10-7-15(8-11-19)17-9-12-20(13-17)18(22)16-5-3-2-4-6-16/h2-3,15-17H,4-13H2,1H3
InChIKeyHUWFKATVFACBHB-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.45
Rot. Bonds2

About 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone

1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (PubChem CID 91921468) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
PubChem CID91921468
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1
InChIInChI=1S/C18H28N2O2/c1-14(21)19-10-7-15(8-11-19)17-9-12-20(13-17)18(22)16-5-3-2-4-6-16/h2-3,15-17H,4-13H2,1H3
InChIKeyHUWFKATVFACBHB-UHFFFAOYSA-N
XLogP2.45
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-Butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
CID 95074
[4-(Cyclohex-3-enecarbonyl)-piperazin-1-yl]-cyclohex-3-enyl-methanone
CID 3133172
AI 3-37220
CID 90567
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
1-Cyclohex-3-enylmethyl-piperidine-4-carboxylic acid diethylamide
CID 645987
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
Pyrrolidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3050744
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
4-Cyclohexene-1,2-dicarboximide, N-(3-(4-methyl-1-piperazinyl)propyl)-, (Z)-
CID 3056763
SS-220
CID 40579125
Cambridge id 6578844
CID 2903559
2-Ethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 601567

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone (CID 91921468) is 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C2CCN(C(=O)C3CC=CCC3)C2)CC1.
What is the InChIKey of 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is HUWFKATVFACBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(21)19-10-7-15(8-11-19)17-9-12-20(13-17)18(22)16-5-3-2-4-6-16/h2-3,15-17H,4-13H2,1H3.
What are the key properties of 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone?
1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 304.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(cyclohex-3-ene-1-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91921468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).