butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate

C17H34N2O4Si — CID 69465772

IUPACbutyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate
SMILESCCCCOC(=O)C1NCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H34N2O4Si/c1-7-8-12-22-16(21)14-15(20)19(10-9-18-14)11-13-23-24(5,6)17(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyNBAZXLRPNZPGJZ-UHFFFAOYSA-N
MW358.56 g/mol
LogP2.15
Rot. Bonds8

About butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate

butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate (PubChem CID 69465772) has the molecular formula C17H34N2O4Si and a molecular weight of 358.56 g/mol. Its IUPAC name is butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Namebutyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate
PubChem CID69465772
Molecular FormulaC17H34N2O4Si
Molecular Weight358.56 g/mol
Exact Mass358.23
IUPAC Namebutyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate
SMILESCCCCOC(=O)C1NCCN(CCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C17H34N2O4Si/c1-7-8-12-22-16(21)14-15(20)19(10-9-18-14)11-13-23-24(5,6)17(2,3)4/h14,18H,7-13H2,1-6H3
InChIKeyNBAZXLRPNZPGJZ-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.56
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 141190377
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-diazinan-2-one
CID 140927699
1-(2-butoxyethyl)-3-methylpiperazin-2-one
CID 63601407
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
4-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-oxopiperidin-4-yl]benzoic acid
CID 90367853
3-bromo-1-[3-[tert-butyl(dimethyl)silyl]oxypropyl]piperidin-2-one
CID 23114648
3-methyl-1-nonylpiperazin-2-one
CID 63608174
2-(3-methoxycarbonyl-2-oxopiperazin-1-yl)acetic acid
CID 19428208
butyl (3aR,4R,7S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-oxo-1,3,3a,4,5,7-hexahydropyrazolo[1,5-c][1,3]oxazine-7-carboxylate
CID 134925268
S-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168704681
2-[4-(2-ethoxyethyl)-3-oxopiperazin-2-yl]acetamide
CID 110283554
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013

Frequently Asked Questions

What is the IUPAC name of butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate?
The IUPAC name of butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate (CID 69465772) is butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate.
What is the SMILES notation for butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate?
The canonical SMILES for butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate is CCCCOC(=O)C1NCCN(CCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate?
The InChIKey is NBAZXLRPNZPGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O4Si/c1-7-8-12-22-16(21)14-15(20)19(10-9-18-14)11-13-23-24(5,6)17(2,3)4/h14,18H,7-13H2,1-6H3.
What are the key properties of butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate?
butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate has a molecular weight of 358.56 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-oxopiperazine-2-carboxylate is sourced from PubChem (CID 69465772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).