(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid

C26H34N2O5Si — CID 174056871

IUPAC(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCCNC(=O)[C@@H]1CC(=O)CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O5Si/c1-26(2,3)34(21-11-6-4-7-12-21,22-13-8-5-9-14-22)33-18-10-16-27-24(30)23-19-20(29)15-17-28(23)25(31)32/h4-9,11-14,23H,10,15-19H2,1-3H3,(H,27,30)(H,31,32)/t23-/m0/s1
InChIKeyXKHBGSFJGSXLAJ-QHCPKHFHSA-N
MW482.65 g/mol
LogP2.78
Rot. Bonds8

About (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid

(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid (PubChem CID 174056871) has the molecular formula C26H34N2O5Si and a molecular weight of 482.65 g/mol. Its IUPAC name is (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
PubChem CID174056871
Molecular FormulaC26H34N2O5Si
Molecular Weight482.65 g/mol
Exact Mass482.22
IUPAC Name(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCCNC(=O)[C@@H]1CC(=O)CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34N2O5Si/c1-26(2,3)34(21-11-6-4-7-12-21,22-13-8-5-9-14-22)33-18-10-16-27-24(30)23-19-20(29)15-17-28(23)25(31)32/h4-9,11-14,23H,10,15-19H2,1-3H3,(H,27,30)(H,31,32)/t23-/m0/s1
InChIKeyXKHBGSFJGSXLAJ-QHCPKHFHSA-N
XLogP2.78
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid (CID 174056871) is (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid is CC(C)(C)[Si](OCCCNC(=O)[C@@H]1CC(=O)CCN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid?
The InChIKey is XKHBGSFJGSXLAJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N2O5Si/c1-26(2,3)34(21-11-6-4-7-12-21,22-13-8-5-9-14-22)33-18-10-16-27-24(30)23-19-20(29)15-17-28(23)25(31)32/h4-9,11-14,23H,10,15-19H2,1-3H3,(H,27,30)(H,31,32)/t23-/m0/s1.
What are the key properties of (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid?
(2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid has a molecular weight of 482.65 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylic acid is sourced from PubChem (CID 174056871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).