3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one

C17H28N4O2 — CID 164631537

IUPAC3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one
SMILESCc1noc([C@@H]2CC3(CCN(C(=O)CC(C)C)CC3)CN2C)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)9-15(22)21-7-5-17(6-8-21)10-14(20(4)11-17)16-18-13(3)19-23-16/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyMOYVLWNMSKUFEF-AWEZNQCLSA-N
MW320.44 g/mol
LogP2.41
Rot. Bonds3

About 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one

3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one (PubChem CID 164631537) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one.

Molecular Properties

Compound Name3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one
PubChem CID164631537
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one
SMILESCc1noc([C@@H]2CC3(CCN(C(=O)CC(C)C)CC3)CN2C)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)9-15(22)21-7-5-17(6-8-21)10-14(20(4)11-17)16-18-13(3)19-23-16/h12,14H,5-11H2,1-4H3/t14-/m0/s1
InChIKeyMOYVLWNMSKUFEF-AWEZNQCLSA-N
XLogP2.41
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one with MolForge

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Related Compounds

3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
CID 91911324
1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 91923453
2-(1H-indol-3-yl)-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 91911322
2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(2,2-dimethylpropyl)acetamide
CID 146072428
N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-(2-methylpropanoyl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 146072372
5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90327701
N-(cyclohexylmethyl)-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072494
N-[(2-chlorophenyl)methyl]-2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072434
N-cyclopropyl-2-[8-(3-methylbutanoyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146068068
[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
CID 129491549
tert-butyl 2-methyl-4-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]butanoate
CID 154764667
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119744960

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one?
The IUPAC name of 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one (CID 164631537) is 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one.
What is the SMILES notation for 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one?
The canonical SMILES for 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one is Cc1noc([C@@H]2CC3(CCN(C(=O)CC(C)C)CC3)CN2C)n1.
What is the InChIKey of 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one?
The InChIKey is MOYVLWNMSKUFEF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)9-15(22)21-7-5-17(6-8-21)10-14(20(4)11-17)16-18-13(3)19-23-16/h12,14H,5-11H2,1-4H3/t14-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one?
3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]butan-1-one is sourced from PubChem (CID 164631537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).