(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one

C23H39NO2Si — CID 59674854

IUPAC(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one
SMILESCC(C)[Si](OCC1CN(Cc2ccccc2)C(=O)C[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C23H39NO2Si/c1-17(2)27(18(3)4,19(5)6)26-16-22-15-24(23(25)13-20(22)7)14-21-11-9-8-10-12-21/h8-12,17-20,22H,13-16H2,1-7H3/t20-,22?/m1/s1
InChIKeyQLFLPOPZBUBYEP-PSDZMVHGSA-N
MW389.66 g/mol
LogP5.86
Rot. Bonds8

About (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one

(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one (PubChem CID 59674854) has the molecular formula C23H39NO2Si and a molecular weight of 389.66 g/mol. Its IUPAC name is (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one
PubChem CID59674854
Molecular FormulaC23H39NO2Si
Molecular Weight389.66 g/mol
Exact Mass389.28
IUPAC Name(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one
SMILESCC(C)[Si](OCC1CN(Cc2ccccc2)C(=O)C[C@H]1C)(C(C)C)C(C)C
InChIInChI=1S/C23H39NO2Si/c1-17(2)27(18(3)4,19(5)6)26-16-22-15-24(23(25)13-20(22)7)14-21-11-9-8-10-12-21/h8-12,17-20,22H,13-16H2,1-7H3/t20-,22?/m1/s1
InChIKeyQLFLPOPZBUBYEP-PSDZMVHGSA-N
XLogP5.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.66
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one?
The IUPAC name of (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one (CID 59674854) is (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one?
The canonical SMILES for (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one is CC(C)[Si](OCC1CN(Cc2ccccc2)C(=O)C[C@H]1C)(C(C)C)C(C)C.
What is the InChIKey of (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one?
The InChIKey is QLFLPOPZBUBYEP-PSDZMVHGSA-N. The full InChI is InChI=1S/C23H39NO2Si/c1-17(2)27(18(3)4,19(5)6)26-16-22-15-24(23(25)13-20(22)7)14-21-11-9-8-10-12-21/h8-12,17-20,22H,13-16H2,1-7H3/t20-,22?/m1/s1.
What are the key properties of (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one?
(4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one has a molecular weight of 389.66 g/mol, XLogP of 5.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-4-methyl-5-[tri(propan-2-yl)silyloxymethyl]piperidin-2-one is sourced from PubChem (CID 59674854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).