6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one

C27H36N2O3 — CID 91082267

IUPAC6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(C2CCNCC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C27H36N2O3/c1-20(21-9-11-22(12-10-21)23-13-16-28-17-14-23)29-18-15-27(32-25(29)30,19-26(2,3)31)24-7-5-4-6-8-24/h4-12,20,23,28,31H,13-19H2,1-3H3
InChIKeyFRSQFFZWCBZOGQ-UHFFFAOYSA-N
MW436.60 g/mol
LogP5.11
Rot. Bonds6

About 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one

6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one (PubChem CID 91082267) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
PubChem CID91082267
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one
SMILESCC(c1ccc(C2CCNCC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C27H36N2O3/c1-20(21-9-11-22(12-10-21)23-13-16-28-17-14-23)29-18-15-27(32-25(29)30,19-26(2,3)31)24-7-5-4-6-8-24/h4-12,20,23,28,31H,13-19H2,1-3H3
InChIKeyFRSQFFZWCBZOGQ-UHFFFAOYSA-N
XLogP5.11
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one with MolForge

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Related Compounds

3-[1-[4-(1-acetylpiperidin-4-yl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 75090105
4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide
CID 75090109
tert-butyl 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]piperidine-1-carboxylate
CID 91411841
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(1-methyl-6-oxopiperidin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 67503255
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 91065967
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-[1-(1-methylpyrrolidine-2-carbonyl)piperidin-4-yl]phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 70927635
3-[(1S)-1-(4-ethynylphenyl)ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 87184778
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 67019752
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-1,3-oxazinan-2-one
CID 66600626
6-(2-hydroxy-2-methylpropyl)-3-[(1S)-1-[4-(6-oxo-1H-pyridin-3-yl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 66601031
6-(2-hydroxy-2-methylpropyl)-3-[1-[4-(3-hydroxy-2,2,3-trimethylbutyl)phenyl]ethyl]-6-phenyl-1,3-oxazinan-2-one
CID 91342326
(6S)-3-[(1S)-1-[4-(6-cyclobutyl-3-pyridinyl)phenyl]ethyl]-6-(2-hydroxy-2-methylpropyl)-6-phenyl-1,3-oxazinan-2-one
CID 122512628

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one (CID 91082267) is 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one is CC(c1ccc(C2CCNCC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O.
What is the InChIKey of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one?
The InChIKey is FRSQFFZWCBZOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-20(21-9-11-22(12-10-21)23-13-16-28-17-14-23)29-18-15-27(32-25(29)30,19-26(2,3)31)24-7-5-4-6-8-24/h4-12,20,23,28,31H,13-19H2,1-3H3.
What are the key properties of 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one?
6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one has a molecular weight of 436.60 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropyl)-6-phenyl-3-[1-(4-piperidin-4-ylphenyl)ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 91082267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).