2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C17H26N4O2 — CID 70730295

IUPAC2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ncon3)CC2)CN1C1CCCC1
InChIInChI=1S/C17H26N4O2/c22-16-5-6-17(12-21(16)14-3-1-2-4-14)7-9-20(10-8-17)11-15-18-13-23-19-15/h13-14H,1-12H2
InChIKeyJPSZTCYZWFSHFT-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds3

About 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70730295) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70730295
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(Cc3ncon3)CC2)CN1C1CCCC1
InChIInChI=1S/C17H26N4O2/c22-16-5-6-17(12-21(16)14-3-1-2-4-14)7-9-20(10-8-17)11-15-18-13-23-19-15/h13-14H,1-12H2
InChIKeyJPSZTCYZWFSHFT-UHFFFAOYSA-N
XLogP2.22
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748574
2-(cyclopropylmethyl)-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70723642
2-cyclopentyl-9-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70733482
2-cyclopentyl-9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717194
6-[(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)methyl]-1H-pyrimidine-2,4-dione
CID 70749258
2-cyclopentyl-9-[(5-fluoro-2-methylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70716601
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
2-cyclopentyl-9-[(2-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70732483
2-(4-hydroxycyclohexyl)-9-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70735202
2-cyclopentyl-9-(2-phenylmethoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70713615
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70753206
9-[[3-(2-aminoethyl)phenyl]methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
CID 70717744

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70730295) is 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(Cc3ncon3)CC2)CN1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is JPSZTCYZWFSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16-5-6-17(12-21(16)14-3-1-2-4-14)7-9-20(10-8-17)11-15-18-13-23-19-15/h13-14H,1-12H2.
What are the key properties of 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 318.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-9-(1,2,4-oxadiazol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70730295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).