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

C18H25NO2 — CID 70732107

IUPAC5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
SMILESCC1(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
InChIKeyOLCPDCJVKABYIC-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.99
Rot. Bonds3

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

5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one (PubChem CID 70732107) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
PubChem CID70732107
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
SMILESCC1(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
InChIKeyOLCPDCJVKABYIC-UHFFFAOYSA-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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Related Compounds

(5S)-5-methyl-1-[(1-morpholin-4-ylcyclopentyl)methyl]-5-phenylpiperidin-2-one
CID 97127089
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70751427
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583
3-methyl-1-(oxan-4-ylmethyl)-3-phenylpiperazine
CID 64833278

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The IUPAC name of 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one (CID 70732107) is 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one.
What is the SMILES notation for 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The canonical SMILES for 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one is CC1(c2ccccc2)CCC(=O)N(CC2CCOCC2)C1.
What is the InChIKey of 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
The InChIKey is OLCPDCJVKABYIC-UHFFFAOYSA-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.
What are the key properties of 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one?
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 5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one is sourced from PubChem (CID 70732107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).