2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C14H22N4O2 — CID 138382560

IUPAC2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCC(C)n1cncc1CN1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C14H22N4O2/c1-11(2)18-10-15-5-12(18)6-17-4-3-14(9-17)8-16-13(19)7-20-14/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,19)
InChIKeyTXNZEAZPLBVFRV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.55
Rot. Bonds3

About 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138382560) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138382560
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCC(C)n1cncc1CN1CCC2(CNC(=O)CO2)C1
InChIInChI=1S/C14H22N4O2/c1-11(2)18-10-15-5-12(18)6-17-4-3-14(9-17)8-16-13(19)7-20-14/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,19)
InChIKeyTXNZEAZPLBVFRV-UHFFFAOYSA-N
XLogP0.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138382560) is 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CC(C)n1cncc1CN1CCC2(CNC(=O)CO2)C1.
What is the InChIKey of 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is TXNZEAZPLBVFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)18-10-15-5-12(18)6-17-4-3-14(9-17)8-16-13(19)7-20-14/h5,10-11H,3-4,6-9H2,1-2H3,(H,16,19).
What are the key properties of 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 278.36 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylimidazol-4-yl)methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138382560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).