N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

C22H28N2O2 — CID 126465913

IUPACN-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC12CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C22H28N2O2/c25-20(23-16-17-7-3-1-4-8-17)19-15-22(19)11-13-24(14-12-22)21(26)18-9-5-2-6-10-18/h1-5,7-8,18-19H,6,9-16H2,(H,23,25)
InChIKeyXMYVWSPFHUSNNI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.29
Rot. Bonds4

About N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide

N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126465913) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126465913
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CC12CCN(C(=O)C1CC=CCC1)CC2
InChIInChI=1S/C22H28N2O2/c25-20(23-16-17-7-3-1-4-8-17)19-15-22(19)11-13-24(14-12-22)21(26)18-9-5-2-6-10-18/h1-5,7-8,18-19H,6,9-16H2,(H,23,25)
InChIKeyXMYVWSPFHUSNNI-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
(2S)-6-(cyclohexanecarbonyl)-N-(2-phenylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42541635
(2R)-N-benzyl-6-[4-(piperidin-1-ylmethyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42210163
(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26351280
N-benzyl-6-[(4-fluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462563
cyclohex-3-en-1-yl-(4-phenylmethoxypiperidin-1-yl)methanone
CID 86913113
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786
6-benzyl-N-(pyridin-3-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126462699
N-benzyl-6-[(2,3,6-trifluorophenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126462966
(4-benzylsulfonylpiperidin-1-yl)-cyclohex-3-en-1-ylmethanone
CID 121022759
(2R)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346946
(2S)-6-(oxane-4-carbonyl)-N-[(1-phenylcyclopentyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 26346949

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126465913) is N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1ccccc1)C1CC12CCN(C(=O)C1CC=CCC1)CC2.
What is the InChIKey of N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is XMYVWSPFHUSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20(23-16-17-7-3-1-4-8-17)19-15-22(19)11-13-24(14-12-22)21(26)18-9-5-2-6-10-18/h1-5,7-8,18-19H,6,9-16H2,(H,23,25).
What are the key properties of N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide?
N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).