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

C17H28N2O3 — CID 26330301

IUPAC(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@H](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)/t15-/m1/s1
InChIKeyMIBKLYWGTXAQML-OAHLLOKOSA-N
MW308.42 g/mol
LogP1.88
Rot. Bonds7

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

(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (PubChem CID 26330301) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
PubChem CID26330301
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SMILESCOCCN1C[C@H](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)/t15-/m1/s1
InChIKeyMIBKLYWGTXAQML-OAHLLOKOSA-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
N-[2-(1-cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 45232069
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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide (CID 26330301) is (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is COCCN1C[C@H](C(=O)NCCC2=CCCCC2)CCC1=O.
What is the InChIKey of (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MIBKLYWGTXAQML-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide?
(3R)-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 (3R)-N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 26330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).