phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C22H25NO2 — CID 110131063

IUPACphenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)CC(c1ccccc1)CCO2
InChIInChI=1S/C22H25NO2/c24-21(19-9-5-2-6-10-19)23-14-12-22(13-15-23)17-20(11-16-25-22)18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyGCBRIKWLZZWQFO-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.26
Rot. Bonds2

About phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110131063) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Namephenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110131063
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Namephenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CC1)CC(c1ccccc1)CCO2
InChIInChI=1S/C22H25NO2/c24-21(19-9-5-2-6-10-19)23-14-12-22(13-15-23)17-20(11-16-25-22)18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyGCBRIKWLZZWQFO-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
CID 155832204
(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-pyridin-4-ylmethanone
CID 91918097
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
(5-methylpyrazin-2-yl)-(3-phenyl-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 134078916
(4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 110203454
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(3-methoxyphenyl)methanone
CID 91917960
(3-methylphenyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462402

Frequently Asked Questions

What is the IUPAC name of phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110131063) is phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccccc1)N1CCC2(CC1)CC(c1ccccc1)CCO2.
What is the InChIKey of phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is GCBRIKWLZZWQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c24-21(19-9-5-2-6-10-19)23-14-12-22(13-15-23)17-20(11-16-25-22)18-7-3-1-4-8-18/h1-10,20H,11-17H2.
What are the key properties of phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110131063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).