(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one

C18H25NO2 — CID 97124070

IUPAC(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(CC2CCOCC2)C1
InChIInChI=1S/C18H25NO2/c1-18(16-5-3-2-4-6-16)10-7-17(20)19(14-18)13-15-8-11-21-12-9-15/h2-6,15H,7-14H2,1H3/t18-/m0/s1
InChIKeyOLCPDCJVKABYIC-SFHVURJKSA-N
MW287.40 g/mol
LogP2.99
Rot. Bonds3

About (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one

(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one (PubChem CID 97124070) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
PubChem CID97124070
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(CC2CCOCC2)C1
InChIInChI=1S/C18H25NO2/c1-18(16-5-3-2-4-6-16)10-7-17(20)19(14-18)13-15-8-11-21-12-9-15/h2-6,15H,7-14H2,1H3/t18-/m0/s1
InChIKeyOLCPDCJVKABYIC-SFHVURJKSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one (CID 97124070) is (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one is C[C@]1(c2ccccc2)CCC(=O)N(CC2CCOCC2)C1.
What is the InChIKey of (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The InChIKey is OLCPDCJVKABYIC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25NO2/c1-18(16-5-3-2-4-6-16)10-7-17(20)19(14-18)13-15-8-11-21-12-9-15/h2-6,15H,7-14H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
(5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one is sourced from PubChem (CID 97124070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).