8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H31N3O3 — CID 70713687

IUPAC8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)C3[C@H]4CNC[C@@H]34)CC2)OC1=O
InChIInChI=1S/C19H31N3O3/c1-2-3-4-5-8-22-13-19(25-18(22)24)6-9-21(10-7-19)17(23)16-14-11-20-12-15(14)16/h14-16,20H,2-13H2,1H3/t14-,15+,16?
InChIKeyWCLRSZCIHXWDKS-XYPWUTKMSA-N
MW349.48 g/mol
LogP1.85
Rot. Bonds6

About 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70713687) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70713687
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C(=O)C3[C@H]4CNC[C@@H]34)CC2)OC1=O
InChIInChI=1S/C19H31N3O3/c1-2-3-4-5-8-22-13-19(25-18(22)24)6-9-21(10-7-19)17(23)16-14-11-20-12-15(14)16/h14-16,20H,2-13H2,1H3/t14-,15+,16?
InChIKeyWCLRSZCIHXWDKS-XYPWUTKMSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729921
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740474
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
3-hexyl-8-[2-(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516
3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384
3-hexyl-8-(1-methylpyrazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70716389
3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768749
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718560
3-[3-(dimethylamino)propyl]-8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70731842
3-hexyl-8-(imidazo[1,2-a]pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70753122
8-[(2-ethylpyrimidin-5-yl)methyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707070
3-hexyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774905

Frequently Asked Questions

What is the IUPAC name of 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70713687) is 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCCCN1CC2(CCN(C(=O)C3[C@H]4CNC[C@@H]34)CC2)OC1=O.
What is the InChIKey of 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is WCLRSZCIHXWDKS-XYPWUTKMSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-2-3-4-5-8-22-13-19(25-18(22)24)6-9-21(10-7-19)17(23)16-14-11-20-12-15(14)16/h14-16,20H,2-13H2,1H3/t14-,15+,16?.
What are the key properties of 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 349.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70713687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).