4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one

C18H21NO4 — CID 136573802

IUPAC4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
SMILESO=c1oc(CN2CCOCC3(CCC3)C2)c(-c2ccccc2)o1
InChIInChI=1S/C18H21NO4/c20-17-22-15(16(23-17)14-5-2-1-3-6-14)11-19-9-10-21-13-18(12-19)7-4-8-18/h1-3,5-6H,4,7-13H2
InChIKeyUDRYREVUAVYOPO-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.90
Rot. Bonds3

About 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one

4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one (PubChem CID 136573802) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
PubChem CID136573802
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one
SMILESO=c1oc(CN2CCOCC3(CCC3)C2)c(-c2ccccc2)o1
InChIInChI=1S/C18H21NO4/c20-17-22-15(16(23-17)14-5-2-1-3-6-14)11-19-9-10-21-13-18(12-19)7-4-8-18/h1-3,5-6H,4,7-13H2
InChIKeyUDRYREVUAVYOPO-UHFFFAOYSA-N
XLogP2.90
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(2-chloro-6-fluorophenyl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 86771401
9-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-6-oxa-9-azaspiro[3.6]decane
CID 139003598
10-benzyl-2-(2-methylpropyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131679011
2-[(6S)-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]acetic acid
CID 97495025
(6R)-2-ethylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494985
11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131652756
(6S)-11-(pyridin-2-ylmethyl)-2-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494953
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300
8-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
CID 120855876
2-methylsulfonyl-11-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131645287

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one?
The IUPAC name of 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one (CID 136573802) is 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one.
What is the SMILES notation for 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one?
The canonical SMILES for 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one is O=c1oc(CN2CCOCC3(CCC3)C2)c(-c2ccccc2)o1.
What is the InChIKey of 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one?
The InChIKey is UDRYREVUAVYOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c20-17-22-15(16(23-17)14-5-2-1-3-6-14)11-19-9-10-21-13-18(12-19)7-4-8-18/h1-3,5-6H,4,7-13H2.
What are the key properties of 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one?
4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)-5-phenyl-1,3-dioxol-2-one is sourced from PubChem (CID 136573802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).