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

C30H43N5O4Si — CID 163232073

IUPACtert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43N5O4Si/c1-29(2,3)39-28(37)35-20-18-23(33-34-31)22-26(35)27(36)32-19-13-21-38-40(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22H2,1-6H3,(H,32,36)/t23-,26-/m0/s1
InChIKeyGWMAAZCYVOOZSK-OZXSUGGESA-N
MW565.79 g/mol
LogP5.15
Rot. Bonds9

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

tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate (PubChem CID 163232073) has the molecular formula C30H43N5O4Si and a molecular weight of 565.79 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
PubChem CID163232073
Molecular FormulaC30H43N5O4Si
Molecular Weight565.79 g/mol
Exact Mass565.31
IUPAC Nametert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H43N5O4Si/c1-29(2,3)39-28(37)35-20-18-23(33-34-31)22-26(35)27(36)32-19-13-21-38-40(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22H2,1-6H3,(H,32,36)/t23-,26-/m0/s1
InChIKeyGWMAAZCYVOOZSK-OZXSUGGESA-N
XLogP5.15
TPSA116.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.79
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

tert-butyl (5R)-5-[[3-[tert-butyl(diphenyl)silyl]oxy-5-iodopentanoyl]amino]-3,3-difluoropiperidine-1-carboxylate
CID 171523927
tert-butyl (4S,5R)-4-[tert-butyl(diphenyl)silyl]oxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidine-1-carboxylate
CID 11713890
4-[(S)-2-tert-Butoxycarbonylamino-5-(tert-butyl-diphenyl-silanyloxy)-pentanoyl]-piperazine-1-carboxylic acid butyl ester
CID 66854356
Butyl 4-[5-[tert-butyl(diphenyl)silyl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]piperazine-1-carboxylate
CID 66854357
4-[(S)-2-Amino-5-(tert-butyl-diphenyl-silanyloxy)-pentanoyl]-piperazine-1-carboxylic acid butyl ester hydrochloride
CID 66855975
butyl 4-[(2S)-2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate
CID 66855976
Butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride
CID 66855978
Butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate
CID 66855979
3-[4-(tert-Butyl-diphenyl-silanyloxy)-piperidin-1-yl]-pyrrolidin-2-one
CID 67354107
Tert-butyl 3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 140851836
tert-butyl (2S,4R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-hydroxypiperidine-1-carboxylate
CID 163232023
tert-butyl (2S,4R)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-methylsulfonyloxypiperidine-1-carboxylate
CID 163232037

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate (CID 163232073) is tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](N=[N+]=[N-])C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GWMAAZCYVOOZSK-OZXSUGGESA-N. The full InChI is InChI=1S/C30H43N5O4Si/c1-29(2,3)39-28(37)35-20-18-23(33-34-31)22-26(35)27(36)32-19-13-21-38-40(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,23,26H,13,18-22H2,1-6H3,(H,32,36)/t23-,26-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate?
tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 565.79 g/mol, XLogP of 5.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 163232073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).