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

C20H32N4O2 — CID 91911324

IUPAC3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCc1noc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2C)n1
InChIInChI=1S/C20H32N4O2/c1-15-21-19(26-22-15)17-13-20(14-23(17)2)9-11-24(12-10-20)18(25)8-7-16-5-3-4-6-16/h16-17H,3-14H2,1-2H3
InChIKeyUMZBQXRNGLJZAC-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.33
Rot. Bonds4

About 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

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 (PubChem CID 91911324) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
PubChem CID91911324
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-cyclopentyl-1-[2-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2,8-diazaspiro[4.5]decan-8-yl]propan-1-one
SMILESCc1noc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2C)n1
InChIInChI=1S/C20H32N4O2/c1-15-21-19(26-22-15)17-13-20(14-23(17)2)9-11-24(12-10-20)18(25)8-7-16-5-3-4-6-16/h16-17H,3-14H2,1-2H3
InChIKeyUMZBQXRNGLJZAC-UHFFFAOYSA-N
XLogP3.33
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1noc(C2CC3(CCN(C(=O)CCC4CCCC4)CC3)CN2C)n1.
What is the InChIKey of 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?
The InChIKey is UMZBQXRNGLJZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-21-19(26-22-15)17-13-20(14-23(17)2)9-11-24(12-10-20)18(25)8-7-16-5-3-4-6-16/h16-17H,3-14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 360.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91911324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).