(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

C19H26N2O4 — CID 110160576

IUPAC(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O
InChIInChI=1S/C19H26N2O4/c1-20-17(14-6-4-3-5-7-14)15(22)12-19(18(20)24)8-10-21(11-9-19)16(23)13-25-2/h3-7,15,17,22H,8-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyZNYPYQPGUNYUJH-WBVHZDCISA-N
MW346.43 g/mol
LogP1.21
Rot. Bonds3

About (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one

(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 110160576) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
PubChem CID110160576
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
SMILESCOCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O
InChIInChI=1S/C19H26N2O4/c1-20-17(14-6-4-3-5-7-14)15(22)12-19(18(20)24)8-10-21(11-9-19)16(23)13-25-2/h3-7,15,17,22H,8-13H2,1-2H3/t15-,17+/m1/s1
InChIKeyZNYPYQPGUNYUJH-WBVHZDCISA-N
XLogP1.21
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-4-hydroxy-2-methyl-9-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160595
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 97376083
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
1-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97118763
9-[2-(2-methoxyethoxy)acetyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72882076
1-(9-benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methoxyethanone
CID 3235224
7-[2-(2-methoxyethoxy)acetyl]-2-phenyl-2,7-diazaspiro[3.5]nonan-3-one
CID 91920707
2-[(1R)-1'-(2-methoxyacetyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-propan-2-ylacetamide
CID 97375785
(3S)-3-benzyl-2-methyl-8-(2-piperidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 124974283
N-cyclohexyl-2-[(3S,4R,6R)-4-hydroxy-2-methyl-1-oxo-3-phenyl-2,8-diazaspiro[5.5]undecan-8-yl]-N-methylacetamide
CID 155988476
(3S,4R,6R)-4-hydroxy-2-methyl-3-phenyl-8-(3-propyl-1,2-oxazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 155988594
8-(2-ethoxyacetyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72927226

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one (CID 110160576) is (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is COCC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O.
What is the InChIKey of (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
The InChIKey is ZNYPYQPGUNYUJH-WBVHZDCISA-N. The full InChI is InChI=1S/C19H26N2O4/c1-20-17(14-6-4-3-5-7-14)15(22)12-19(18(20)24)8-10-21(11-9-19)16(23)13-25-2/h3-7,15,17,22H,8-13H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one?
(3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 346.43 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-hydroxy-9-(2-methoxyacetyl)-2-methyl-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 110160576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).