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

C30H42N2O5Si — CID 163232058

IUPACtert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42N2O5Si/c1-29(2,3)37-28(35)32-20-18-23(33)22-26(32)27(34)31-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,26H,13,18-22H2,1-6H3,(H,31,34)/t26-/m0/s1
InChIKeySPHZWOZSYKLSFW-SANMLTNESA-N
MW538.76 g/mol
LogP4.04
Rot. Bonds8

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

tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate (PubChem CID 163232058) has the molecular formula C30H42N2O5Si and a molecular weight of 538.76 g/mol. Its IUPAC name is tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate
PubChem CID163232058
Molecular FormulaC30H42N2O5Si
Molecular Weight538.76 g/mol
Exact Mass538.29
IUPAC Nametert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C30H42N2O5Si/c1-29(2,3)37-28(35)32-20-18-23(33)22-26(32)27(34)31-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,26H,13,18-22H2,1-6H3,(H,31,34)/t26-/m0/s1
InChIKeySPHZWOZSYKLSFW-SANMLTNESA-N
XLogP4.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.76
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
tert-butyl (3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]piperazine-1-carboxylate
CID 59465678
N-[1-[[1-[tert-butyl(diphenyl)silyl]oxy-4-methylpentan-3-yl]-methylamino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 59515972
tert-butyl N-[(2R,3S)-1,4-diamino-3-[tert-butyl(diphenyl)silyl]oxy-1,4-dioxobutan-2-yl]carbamate
CID 59748424
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate (CID 163232058) is tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)NCCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate?
The InChIKey is SPHZWOZSYKLSFW-SANMLTNESA-N. The full InChI is InChI=1S/C30H42N2O5Si/c1-29(2,3)37-28(35)32-20-18-23(33)22-26(32)27(34)31-19-13-21-36-38(30(4,5)6,24-14-9-7-10-15-24)25-16-11-8-12-17-25/h7-12,14-17,26H,13,18-22H2,1-6H3,(H,31,34)/t26-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate?
tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate has a molecular weight of 538.76 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate is sourced from PubChem (CID 163232058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).