[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone

C17H23NO2 — CID 101140234

IUPAC[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
SMILESC[C@@H]1COC2(CCCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-14-13-20-17(11-7-2-3-8-12-17)18(14)16(19)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyBZVOFBGMYFGOMJ-CQSZACIVSA-N
MW273.38 g/mol
LogP3.60
Rot. Bonds1

About [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone

[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone (PubChem CID 101140234) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
PubChem CID101140234
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone
SMILESC[C@@H]1COC2(CCCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C17H23NO2/c1-14-13-20-17(11-7-2-3-8-12-17)18(14)16(19)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3/t14-/m1/s1
InChIKeyBZVOFBGMYFGOMJ-CQSZACIVSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
[(3R)-3-(2-hydroxypropyl)-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
CID 10493667
(3S)-4-(4-phenylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657753
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837
(3S)-4-(4-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657713
4-(3-methoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360265
(3S)-4-(pyridine-3-carbonyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657787
4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 75360256
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
4-(2-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 24715382
1-[4-benzoyl-3-(2-methylpiperidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-2-methylpropan-1-one
CID 46110693
[(3S,8R)-3-tert-butyl-8-hydroxy-1-oxa-4-azaspiro[4.4]nonan-4-yl]-phenylmethanone
CID 11312728

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone (CID 101140234) is [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone is C[C@@H]1COC2(CCCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone?
The InChIKey is BZVOFBGMYFGOMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23NO2/c1-14-13-20-17(11-7-2-3-8-12-17)18(14)16(19)15-9-5-4-6-10-15/h4-6,9-10,14H,2-3,7-8,11-13H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone?
[(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone has a molecular weight of 273.38 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-methyl-1-oxa-4-azaspiro[4.6]undecan-4-yl]-phenylmethanone is sourced from PubChem (CID 101140234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).