butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride

C30H46ClN3O4Si — CID 66855978

IUPACbutyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride
SMILESCCCCOC(=O)N1CCN(C(=O)C(N)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cl
InChIInChI=1S/C30H45N3O4Si.ClH/c1-5-6-23-36-29(35)33-21-19-32(20-22-33)28(34)27(31)18-13-24-37-38(30(2,3)4,25-14-9-7-10-15-25)26-16-11-8-12-17-26;/h7-12,14-17,27H,5-6,13,18-24,31H2,1-4H3;1H
InChIKeyXKOQGGWAUXVLQI-UHFFFAOYSA-N
MW576.25 g/mol
LogP4.17
Rot. Bonds11

About butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride

butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride (PubChem CID 66855978) has the molecular formula C30H46ClN3O4Si and a molecular weight of 576.25 g/mol. Its IUPAC name is butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebutyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride
PubChem CID66855978
Molecular FormulaC30H46ClN3O4Si
Molecular Weight576.25 g/mol
Exact Mass575.29
IUPAC Namebutyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride
SMILESCCCCOC(=O)N1CCN(C(=O)C(N)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cl
InChIInChI=1S/C30H45N3O4Si.ClH/c1-5-6-23-36-29(35)33-21-19-32(20-22-33)28(34)27(31)18-13-24-37-38(30(2,3)4,25-14-9-7-10-15-25)26-16-11-8-12-17-26;/h7-12,14-17,27H,5-6,13,18-24,31H2,1-4H3;1H
InChIKeyXKOQGGWAUXVLQI-UHFFFAOYSA-N
XLogP4.17
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.25
LogP ≤ 54.17
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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Launch Full Analysis

Related Compounds

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
CID 66855979
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)-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]-4-oxopiperidine-1-carboxylate
CID 163232058
tert-butyl (2S,4S)-4-azido-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
CID 163232073
tert-butyl (2S,4S)-4-amino-2-[3-[tert-butyl(diphenyl)silyl]oxypropylcarbamoyl]piperidine-1-carboxylate
CID 169079961
tert-butyl N-[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-5-(methylamino)-5-oxopentan-2-yl]carbamate
CID 169099984
tert-butyl (3S)-3-[2-[tert-butyl(diphenyl)silyl]oxyethyl]piperazine-1-carboxylate
CID 171102342

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride?
The IUPAC name of butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride (CID 66855978) is butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride is CCCCOC(=O)N1CCN(C(=O)C(N)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CC1.Cl.
What is the InChIKey of butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride?
The InChIKey is XKOQGGWAUXVLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O4Si.ClH/c1-5-6-23-36-29(35)33-21-19-32(20-22-33)28(34)27(31)18-13-24-37-38(30(2,3)4,25-14-9-7-10-15-25)26-16-11-8-12-17-26;/h7-12,14-17,27H,5-6,13,18-24,31H2,1-4H3;1H.
What are the key properties of butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride?
butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride has a molecular weight of 576.25 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-amino-5-[tert-butyl(diphenyl)silyl]oxypentanoyl]piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 66855978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).