N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

C17H28N2O3 — CID 45232069

IUPACN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCC2=CCCCC2)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)
InChIKeyMIBKLYWGTXAQML-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.88
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 45232069) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID45232069
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCC2=CCCCC2)CCC1=O
InChIInChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)
InChIKeyMIBKLYWGTXAQML-UHFFFAOYSA-N
XLogP1.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-N-[2-(1-cyclohexenyl)ethyl]-2-(methoxymethyl)-6-oxohexahydro-3-pyridinecarboxamide
CID 91911598
Cambridge id 6578224
CID 2903407
(2S,3R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(methoxymethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 124049158
N-[2-(cyclohexen-1-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344189
N-[2-(cyclohexen-1-yl)ethyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552771
3-[1-(3-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 45235465
N-methyl-6-[(3-morpholin-4-ylpropylamino)methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
CID 21266146
N,N-dimethyl-6-[(3-morpholin-4-ylpropylamino)methyl]cyclohex-3-ene-1-carboxamide
CID 59932373
6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]-N-octadecylcyclohex-3-ene-1-carboxamide
CID 140414688
[(3R)-5-(4-methylpent-1-enylidene)piperidin-3-yl]-morpholin-4-ylmethanone
CID 146770459
N-(3-morpholin-4-yl-3-oxopropyl)cyclohex-3-ene-1-carboxamide
CID 153977312
(6E)-2,6-dimethyl-10-methylidenedodeca-2,6-diene;3-[(3E)-4,8-dimethylnona-3,7-dienyl]-N-(3-morpholin-4-ylpropyl)cyclohex-3-ene-1-carboxamide
CID 162436736

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 45232069) is N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1CC(C(=O)NCCC2=CCCCC2)CCC1=O.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MIBKLYWGTXAQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-22-12-11-19-13-15(7-8-16(19)20)17(21)18-10-9-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 308.42 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45232069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).