6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one

C19H32N2O3 — CID 118738889

IUPAC6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C19H32N2O3/c1-24-13-7-11-20-15-19(14-17(20)22)10-5-6-12-21(19)18(23)16-8-3-2-4-9-16/h16H,2-15H2,1H3
InChIKeyGABLRGYGNJYEBB-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.59
Rot. Bonds5

About 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one

6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one (PubChem CID 118738889) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one
PubChem CID118738889
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one
SMILESCOCCCN1CC2(CCCCN2C(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C19H32N2O3/c1-24-13-7-11-20-15-19(14-17(20)22)10-5-6-12-21(19)18(23)16-8-3-2-4-9-16/h16H,2-15H2,1H3
InChIKeyGABLRGYGNJYEBB-UHFFFAOYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one?
The IUPAC name of 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one (CID 118738889) is 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one is COCCCN1CC2(CCCCN2C(=O)C2CCCCC2)CC1=O.
What is the InChIKey of 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one?
The InChIKey is GABLRGYGNJYEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-24-13-7-11-20-15-19(14-17(20)22)10-5-6-12-21(19)18(23)16-8-3-2-4-9-16/h16H,2-15H2,1H3.
What are the key properties of 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one?
6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one has a molecular weight of 336.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexanecarbonyl)-2-(3-methoxypropyl)-2,6-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118738889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).