7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C21H30N2O3 — CID 72838415

IUPAC7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(CCOc1ccccc1)C2
InChIInChI=1S/C21H30N2O3/c24-20-21(9-4-11-23(20)18-7-14-25-15-8-18)10-12-22(17-21)13-16-26-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2
InChIKeyPXGMYLCYRAANIR-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.56
Rot. Bonds5

About 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72838415) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72838415
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(CCOc1ccccc1)C2
InChIInChI=1S/C21H30N2O3/c24-20-21(9-4-11-23(20)18-7-14-25-15-8-18)10-12-22(17-21)13-16-26-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2
InChIKeyPXGMYLCYRAANIR-UHFFFAOYSA-N
XLogP2.56
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-7-(oxan-4-yl)-2-(3-phenoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119315
(5R)-2-(2-methylsulfonylethyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109673
(5R)-7-(oxan-4-yl)-2-(2-phenylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97109908
7-(oxan-4-yl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72855207
2-cyclopropyl-8-(2-phenoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70753916
(5R)-2-isoquinolin-1-yl-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97150324
2-cyclopentyl-9-(2-phenoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70761556
(5R)-2-(oxan-4-yl)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 173174985
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72938595
9-isoquinolin-1-yl-2-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 66723598
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946

Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72838415) is 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCCC12CCN(CCOc1ccccc1)C2.
What is the InChIKey of 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PXGMYLCYRAANIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-20-21(9-4-11-23(20)18-7-14-25-15-8-18)10-12-22(17-21)13-16-26-19-5-2-1-3-6-19/h1-3,5-6,18H,4,7-17H2.
What are the key properties of 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 358.48 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-2-(2-phenoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72838415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).