(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

C17H23NO3 — CID 95730261

IUPAC(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCOc1ccc(CN2CC[C@@]3(CCCO3)CCC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-20-15-5-3-14(4-6-15)13-18-11-10-17(8-2-12-21-17)9-7-16(18)19/h3-6H,2,7-13H2,1H3/t17-/m1/s1
InChIKeyPLRXWFMSMUKNCL-QGZVFWFLSA-N
MW289.38 g/mol
LogP2.76
Rot. Bonds3

About (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one

(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (PubChem CID 95730261) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.

Molecular Properties

Compound Name(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
PubChem CID95730261
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
SMILESCOc1ccc(CN2CC[C@@]3(CCCO3)CCC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-20-15-5-3-14(4-6-15)13-18-11-10-17(8-2-12-21-17)9-7-16(18)19/h3-6H,2,7-13H2,1H3/t17-/m1/s1
InChIKeyPLRXWFMSMUKNCL-QGZVFWFLSA-N
XLogP2.76
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-[(4-tert-butylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95524921
(5S)-9-[(6-chloro-3-pyridinyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95718054
(5R)-9-[(3-phenylphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95719727
9-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56863029
(5R)-9-[(1-ethylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95723902
9-[(4-methylnaphthalen-1-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56873072
9-[(2,4-difluorophenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56868532
(5S)-9-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 95711137
9-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56867345
5-amino-1-[(4-methoxyphenyl)methyl]-5-methylpiperidin-2-one
CID 129101346
1-[(4-methoxyphenyl)methyl]-3-methyl-6-oxopiperidine-3-carboxylic acid
CID 129101345
9-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56872805

Frequently Asked Questions

What is the IUPAC name of (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The IUPAC name of (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one (CID 95730261) is (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one.
What is the SMILES notation for (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The canonical SMILES for (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is COc1ccc(CN2CC[C@@]3(CCCO3)CCC2=O)cc1.
What is the InChIKey of (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
The InChIKey is PLRXWFMSMUKNCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-5-3-14(4-6-15)13-18-11-10-17(8-2-12-21-17)9-7-16(18)19/h3-6H,2,7-13H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one?
(5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one has a molecular weight of 289.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one is sourced from PubChem (CID 95730261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).