(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one

C19H21NO3 — CID 134716593

IUPAC(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCO[C@@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](O)C(=O)N1C
InChIInChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3/t15-,16+,17+,19-/m1/s1
InChIKeyHGOXSQCBJLZRJO-VUHPKUFZSA-N
MW311.38 g/mol
LogP2.36
Rot. Bonds3

About (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one

(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one (PubChem CID 134716593) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one
PubChem CID134716593
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCO[C@@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](O)C(=O)N1C
InChIInChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3/t15-,16+,17+,19-/m1/s1
InChIKeyHGOXSQCBJLZRJO-VUHPKUFZSA-N
XLogP2.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one?
The IUPAC name of (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one (CID 134716593) is (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one.
What is the SMILES notation for (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one?
The canonical SMILES for (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one is CO[C@@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](O)C(=O)N1C.
What is the InChIKey of (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one?
The InChIKey is HGOXSQCBJLZRJO-VUHPKUFZSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-18(22)17(21)15(13-9-5-3-6-10-13)16(19(20)23-2)14-11-7-4-8-12-14/h3-12,15-17,19,21H,1-2H3/t15-,16+,17+,19-/m1/s1.
What are the key properties of (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one?
(3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one has a molecular weight of 311.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-3-hydroxy-6-methoxy-1-methyl-4,5-diphenylpiperidin-2-one is sourced from PubChem (CID 134716593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).