6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C22H31N3O — CID 126465422

IUPAC6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC12CCN(CC1CC=CCC1)CC2
InChIInChI=1S/C22H31N3O/c26-21(24-13-9-19-8-4-5-12-23-19)20-16-22(20)10-14-25(15-11-22)17-18-6-2-1-3-7-18/h1-2,4-5,8,12,18,20H,3,6-7,9-11,13-17H2,(H,24,26)
InChIKeyNCRWFXHWJOBFPJ-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.20
Rot. Bonds6

About 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 126465422) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID126465422
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCCc1ccccn1)C1CC12CCN(CC1CC=CCC1)CC2
InChIInChI=1S/C22H31N3O/c26-21(24-13-9-19-8-4-5-12-23-19)20-16-22(20)10-14-25(15-11-22)17-18-6-2-1-3-7-18/h1-2,4-5,8,12,18,20H,3,6-7,9-11,13-17H2,(H,24,26)
InChIKeyNCRWFXHWJOBFPJ-UHFFFAOYSA-N
XLogP3.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.20
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

(2R)-6-[[(1R)-cyclohex-3-en-1-yl]methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26351280
6-(cyclohex-3-en-1-ylmethyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 126467319
6-[[4-(dimethylamino)phenyl]methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463050
6-(2-chlorobenzoyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165512
(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42484153
(2S)-6-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42471005
1-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 29188826
1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 45253215
6-[3-(3-fluorophenyl)prop-2-enoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 171134516
(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42485071
(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125158207

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 126465422) is 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCCc1ccccn1)C1CC12CCN(CC1CC=CCC1)CC2.
What is the InChIKey of 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NCRWFXHWJOBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c26-21(24-13-9-19-8-4-5-12-23-19)20-16-22(20)10-14-25(15-11-22)17-18-6-2-1-3-7-18/h1-2,4-5,8,12,18,20H,3,6-7,9-11,13-17H2,(H,24,26).
What are the key properties of 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126465422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).