(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one

C17H23NO2 — CID 102522516

IUPAC(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
SMILESC[C@@]1(O)CCC[C@@]12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C17H23NO2/c1-16(20)9-5-10-17(16)11-6-12-18(15(17)19)13-14-7-3-2-4-8-14/h2-4,7-8,20H,5-6,9-13H2,1H3/t16-,17+/m1/s1
InChIKeyWZYOHGDSDGCVDN-SJORKVTESA-N
MW273.38 g/mol
LogP2.73
Rot. Bonds2

About (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one

(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one (PubChem CID 102522516) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
PubChem CID102522516
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one
SMILESC[C@@]1(O)CCC[C@@]12CCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C17H23NO2/c1-16(20)9-5-10-17(16)11-6-12-18(15(17)19)13-14-7-3-2-4-8-14/h2-4,7-8,20H,5-6,9-13H2,1H3/t16-,17+/m1/s1
InChIKeyWZYOHGDSDGCVDN-SJORKVTESA-N
XLogP2.73
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R,9R)-9-hydroxy-9-methyl-2-phenyl-2-azaspiro[4.4]nonan-1-one
CID 102522511
(3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylic acid
CID 118570434
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
2-[4-[(9-benzyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)methyl]phenyl]acetic acid
CID 163311970
(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one
CID 132528251
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
(4R)-1-benzyl-4-hydroxy-4-methylpyrrolidin-2-one
CID 98042329
ethyl 1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 123926319
3-[(benzylamino)methyl]-1-[(3,4-difluorophenyl)methyl]-3-hydroxypiperidin-2-one
CID 45212933
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
tert-butyl (3S)-1-benzyl-3-hydroxy-2-oxopyrrolidine-3-carboxylate
CID 101479674
(5E)-1-benzyl-8-methoxy-8-methyl-2,3,4,7-tetrahydroazonin-9-one
CID 10826127

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one?
The IUPAC name of (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one (CID 102522516) is (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one.
What is the SMILES notation for (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one?
The canonical SMILES for (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one is C[C@@]1(O)CCC[C@@]12CCCN(Cc1ccccc1)C2=O.
What is the InChIKey of (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one?
The InChIKey is WZYOHGDSDGCVDN-SJORKVTESA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(20)9-5-10-17(16)11-6-12-18(15(17)19)13-14-7-3-2-4-8-14/h2-4,7-8,20H,5-6,9-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one?
(4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one has a molecular weight of 273.38 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-7-benzyl-4-hydroxy-4-methyl-7-azaspiro[4.5]decan-6-one is sourced from PubChem (CID 102522516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).