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

C22H35N5O3 — CID 146072428

IUPAC2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCC(C)(C)C)n1
InChIInChI=1S/C22H35N5O3/c1-15-24-19(30-25-15)17-11-22(7-9-26(10-8-22)20(29)16-5-6-16)14-27(17)12-18(28)23-13-21(2,3)4/h16-17H,5-14H2,1-4H3,(H,23,28)
InChIKeyPLTUDGLLVHHAAG-UHFFFAOYSA-N
MW417.55 g/mol
LogP2.31
Rot. Bonds5

About 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

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 (PubChem CID 146072428) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(2,2-dimethylpropyl)acetamide
PubChem CID146072428
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Name2-[8-(cyclopropanecarbonyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-2-yl]-N-(2,2-dimethylpropyl)acetamide
SMILESCc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCC(C)(C)C)n1
InChIInChI=1S/C22H35N5O3/c1-15-24-19(30-25-15)17-11-22(7-9-26(10-8-22)20(29)16-5-6-16)14-27(17)12-18(28)23-13-21(2,3)4/h16-17H,5-14H2,1-4H3,(H,23,28)
InChIKeyPLTUDGLLVHHAAG-UHFFFAOYSA-N
XLogP2.31
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[(3,4-dimethylphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072451
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
N-[(2-methoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-8-methylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 146072448
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
8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56913813
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(oxan-4-yl)methanone
CID 97422193
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 53338089

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C2CC3(CCN(C(=O)C4CC4)CC3)CN2CC(=O)NCC(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is PLTUDGLLVHHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c1-15-24-19(30-25-15)17-11-22(7-9-26(10-8-22)20(29)16-5-6-16)14-27(17)12-18(28)23-13-21(2,3)4/h16-17H,5-14H2,1-4H3,(H,23,28).
What are the key properties of 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?
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 has a molecular weight of 417.55 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146072428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).