1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one

C15H25N5O2 — CID 166432895

IUPAC1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one
SMILESCN1CCN(C(=O)CCCCc2cn[nH]n2)CC12CCOC2
InChIInChI=1S/C15H25N5O2/c1-19-7-8-20(11-15(19)6-9-22-12-15)14(21)5-3-2-4-13-10-16-18-17-13/h10H,2-9,11-12H2,1H3,(H,16,17,18)
InChIKeyLDBFSJMRIBQTAT-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.45
Rot. Bonds5

About 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one

1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one (PubChem CID 166432895) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one.

Molecular Properties

Compound Name1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one
PubChem CID166432895
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one
SMILESCN1CCN(C(=O)CCCCc2cn[nH]n2)CC12CCOC2
InChIInChI=1S/C15H25N5O2/c1-19-7-8-20(11-15(19)6-9-22-12-15)14(21)5-3-2-4-13-10-16-18-17-13/h10H,2-9,11-12H2,1H3,(H,16,17,18)
InChIKeyLDBFSJMRIBQTAT-UHFFFAOYSA-N
XLogP0.45
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-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

1-(7-methyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 138016287
1-[4-(cyclopropanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-3-(2H-triazol-4-yl)propan-1-one
CID 154773282
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-5-(2H-triazol-4-yl)pentan-1-one
CID 75455687
1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 138016212
5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 139598835
1-methyl-4-(3-pyridin-2-ylpropanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72923202
(6S)-1-methyl-4-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97133610
[1-[4-(2H-triazol-4-yl)butanoyl]azepan-4-yl]carbamic acid
CID 90219006
4-(2H-triazol-4-yl)butanamide
CID 90219359
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
CID 90226741
(6S)-1,10-dimethyl-4-(4-pyrazol-1-ylbutanoyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97136319
6-[(4-fluorophenyl)methyl]-10-(3-phenylpropanoyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
CID 146066809

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one?
The IUPAC name of 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one (CID 166432895) is 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one.
What is the SMILES notation for 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one?
The canonical SMILES for 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one is CN1CCN(C(=O)CCCCc2cn[nH]n2)CC12CCOC2.
What is the InChIKey of 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one?
The InChIKey is LDBFSJMRIBQTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19-7-8-20(11-15(19)6-9-22-12-15)14(21)5-3-2-4-13-10-16-18-17-13/h10H,2-9,11-12H2,1H3,(H,16,17,18).
What are the key properties of 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one?
1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one has a molecular weight of 307.40 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-5-(2H-triazol-4-yl)pentan-1-one is sourced from PubChem (CID 166432895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).