4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide

C30H41N3O4 — CID 75090109

IUPAC4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(c1ccc(C2CCN(C(=O)N(C)C)CC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C30H41N3O4/c1-22(23-11-13-24(14-12-23)25-15-18-32(19-16-25)27(34)31(4)5)33-20-17-30(37-28(33)35,21-29(2,3)36)26-9-7-6-8-10-26/h6-14,22,25,36H,15-21H2,1-5H3
InChIKeyWVOONBORQDQQAV-UHFFFAOYSA-N
MW507.68 g/mol
LogP5.51
Rot. Bonds6

About 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 75090109) has the molecular formula C30H41N3O4 and a molecular weight of 507.68 g/mol. Its IUPAC name is 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID75090109
Molecular FormulaC30H41N3O4
Molecular Weight507.68 g/mol
Exact Mass507.31
IUPAC Name4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCC(c1ccc(C2CCN(C(=O)N(C)C)CC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O
InChIInChI=1S/C30H41N3O4/c1-22(23-11-13-24(14-12-23)25-15-18-32(19-16-25)27(34)31(4)5)33-20-17-30(37-28(33)35,21-29(2,3)36)26-9-7-6-8-10-26/h6-14,22,25,36H,15-21H2,1-5H3
InChIKeyWVOONBORQDQQAV-UHFFFAOYSA-N
XLogP5.51
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.68
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 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) is 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide is CC(c1ccc(C2CCN(C(=O)N(C)C)CC2)cc1)N1CCC(CC(C)(C)O)(c2ccccc2)OC1=O.
What is the InChIKey of 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is WVOONBORQDQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O4/c1-22(23-11-13-24(14-12-23)25-15-18-32(19-16-25)27(34)31(4)5)33-20-17-30(37-28(33)35,21-29(2,3)36)26-9-7-6-8-10-26/h6-14,22,25,36H,15-21H2,1-5H3.
What are the key properties of 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 507.68 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[6-(2-hydroxy-2-methylpropyl)-2-oxo-6-phenyl-1,3-oxazinan-3-yl]ethyl]phenyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 75090109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).