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

C26H35N5O4Si — CID 174056822

IUPAC(2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCCNC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35N5O4Si/c1-26(2,3)36(21-11-6-4-7-12-21,22-13-8-5-9-14-22)35-18-10-16-28-24(32)23-19-20(29-30-27)15-17-31(23)25(33)34/h4-9,11-14,20,23H,10,15-19H2,1-3H3,(H,28,32)(H,33,34)/t20-,23-/m0/s1
InChIKeyPESMCYADUCCDBS-REWPJTCUSA-N
MW509.68 g/mol
LogP3.89
Rot. Bonds9

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

(2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid (PubChem CID 174056822) has the molecular formula C26H35N5O4Si and a molecular weight of 509.68 g/mol. Its IUPAC name is (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid
PubChem CID174056822
Molecular FormulaC26H35N5O4Si
Molecular Weight509.68 g/mol
Exact Mass509.25
IUPAC Name(2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid
SMILESCC(C)(C)[Si](OCCCNC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CCN1C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H35N5O4Si/c1-26(2,3)36(21-11-6-4-7-12-21,22-13-8-5-9-14-22)35-18-10-16-28-24(32)23-19-20(29-30-27)15-17-31(23)25(33)34/h4-9,11-14,20,23H,10,15-19H2,1-3H3,(H,28,32)(H,33,34)/t20-,23-/m0/s1
InChIKeyPESMCYADUCCDBS-REWPJTCUSA-N
XLogP3.89
TPSA127.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid (CID 174056822) is (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid is CC(C)(C)[Si](OCCCNC(=O)[C@@H]1C[C@@H](N=[N+]=[N-])CCN1C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid?
The InChIKey is PESMCYADUCCDBS-REWPJTCUSA-N. The full InChI is InChI=1S/C26H35N5O4Si/c1-26(2,3)36(21-11-6-4-7-12-21,22-13-8-5-9-14-22)35-18-10-16-28-24(32)23-19-20(29-30-27)15-17-31(23)25(33)34/h4-9,11-14,20,23H,10,15-19H2,1-3H3,(H,28,32)(H,33,34)/t20-,23-/m0/s1.
What are the key properties of (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid?
(2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid has a molecular weight of 509.68 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174056822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).