(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

C17H27N3O2 — CID 97154280

IUPAC(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCn1nc(C)c(CCN2C[C@]3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-20-14(3)15(13(2)18-20)6-9-19-11-17(7-5-16(19)21)8-10-22-12-17/h4-12H2,1-3H3/t17-/m1/s1
InChIKeyQCZIKTHGPCQXIL-QGZVFWFLSA-N
MW305.42 g/mol
LogP2.09
Rot. Bonds4

About (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one

(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (PubChem CID 97154280) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
PubChem CID97154280
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one
SMILESCCn1nc(C)c(CCN2C[C@]3(CCOC3)CCC2=O)c1C
InChIInChI=1S/C17H27N3O2/c1-4-20-14(3)15(13(2)18-20)6-9-19-11-17(7-5-16(19)21)8-10-22-12-17/h4-12H2,1-3H3/t17-/m1/s1
InChIKeyQCZIKTHGPCQXIL-QGZVFWFLSA-N
XLogP2.09
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The IUPAC name of (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one (CID 97154280) is (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one.
What is the SMILES notation for (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The canonical SMILES for (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is CCn1nc(C)c(CCN2C[C@]3(CCOC3)CCC2=O)c1C.
What is the InChIKey of (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
The InChIKey is QCZIKTHGPCQXIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-4-20-14(3)15(13(2)18-20)6-9-19-11-17(7-5-16(19)21)8-10-22-12-17/h4-12H2,1-3H3/t17-/m1/s1.
What are the key properties of (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one?
(5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one has a molecular weight of 305.42 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-oxa-9-azaspiro[4.5]decan-8-one is sourced from PubChem (CID 97154280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).