1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C21H29NO3 — CID 124959970

IUPAC1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C21H29NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h7-8,14,19,23H,1-6,9-13,15H2/t19-/m1/s1
InChIKeyGREUOIJFTHVHFU-LJQANCHMSA-N
MW343.47 g/mol
LogP2.64
Rot. Bonds2

About 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 124959970) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID124959970
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCC[C@H]2O
InChIInChI=1S/C21H29NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h7-8,14,19,23H,1-6,9-13,15H2/t19-/m1/s1
InChIKeyGREUOIJFTHVHFU-LJQANCHMSA-N
XLogP2.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-{[2-(Trifluoromethyl)phenyl]acetyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72938921
1-{4-Hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-YL}-2-(3-methylphenyl)ethan-1-one
CID 110203422
1-{4-Hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-YL}-2-(2-methylphenyl)ethan-1-one
CID 124078049
1-[(4S)-4-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(2-methylphenyl)ethanone
CID 164628099
9-[2-Methyl-5-(trifluoromethyl)benzoyl]-1-oxa-9-azaspiro[5.5]undecan-5-OL
CID 72839860
9-{[3-(Trifluoromethyl)phenyl]acetyl}-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72842893
9-[4-(4-Fluorophenyl)butanoyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72926830
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 97143954
1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 97143955
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
4-(4-fluorophenyl)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150226
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 97155596

Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 124959970) is 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(Cc1ccc2c(c1)CCCC2)N1CCC2(CC1)OCCC[C@H]2O.
What is the InChIKey of 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is GREUOIJFTHVHFU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H29NO3/c23-19-6-3-13-25-21(19)9-11-22(12-10-21)20(24)15-16-7-8-17-4-1-2-5-18(17)14-16/h7-8,14,19,23H,1-6,9-13,15H2/t19-/m1/s1.
What are the key properties of 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 343.47 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 124959970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).