[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone

C29H40N2O4Si — CID 132508017

IUPAC[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1
InChIInChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3
InChIKeyOWNNALWIPAWQOO-UHFFFAOYSA-N
MW508.74 g/mol
LogP6.48
Rot. Bonds6

About [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone

[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone (PubChem CID 132508017) has the molecular formula C29H40N2O4Si and a molecular weight of 508.74 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
PubChem CID132508017
Molecular FormulaC29H40N2O4Si
Molecular Weight508.74 g/mol
Exact Mass508.28
IUPAC Name[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1
InChIInChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3
InChIKeyOWNNALWIPAWQOO-UHFFFAOYSA-N
XLogP6.48
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.74
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone (CID 132508017) is [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone is COc1ccc(C2C(C(=O)N3CCCCC3)=C(O[Si](C)(C)C(C)(C)C)CON2c2ccccc2)cc1.
What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is OWNNALWIPAWQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4Si/c1-29(2,3)36(5,6)35-25-21-34-31(23-13-9-7-10-14-23)27(22-15-17-24(33-4)18-16-22)26(25)28(32)30-19-11-8-12-20-30/h7,9-10,13-18,27H,8,11-12,19-21H2,1-6H3.
What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone?
[5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 508.74 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-phenyl-3,6-dihydrooxazin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 132508017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).