(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one

C18H19NO2 — CID 3065188

IUPAC(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one
SMILESCOc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-15-9-7-13(8-10-15)16-11-12-19-18(20)17(16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeySCQJJNZFWSUHRT-DLBZAZTESA-N
MW281.36 g/mol
LogP3.08
Rot. Bonds3

About (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one

(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one (PubChem CID 3065188) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one
PubChem CID3065188
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one
SMILESCOc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-21-15-9-7-13(8-10-15)16-11-12-19-18(20)17(16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1
InChIKeySCQJJNZFWSUHRT-DLBZAZTESA-N
XLogP3.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one?
The IUPAC name of (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one (CID 3065188) is (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one.
What is the SMILES notation for (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one?
The canonical SMILES for (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one is COc1ccc([C@@H]2CCNC(=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one?
The InChIKey is SCQJJNZFWSUHRT-DLBZAZTESA-N. The full InChI is InChI=1S/C18H19NO2/c1-21-15-9-7-13(8-10-15)16-11-12-19-18(20)17(16)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3,(H,19,20)/t16-,17+/m0/s1.
What are the key properties of (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one?
(3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-methoxyphenyl)-3-phenylpiperidin-2-one is sourced from PubChem (CID 3065188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).