tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate

C19H36N2O4 — CID 53419941

IUPACtert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O4/c1-17(2,3)20-10-11-21(16(23)25-19(7,8)9)14(13-20)12-15(22)24-18(4,5)6/h14H,10-13H2,1-9H3
InChIKeyCDZTVJBTXMDNDC-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 53419941) has the molecular formula C19H36N2O4 and a molecular weight of 356.51 g/mol. Its IUPAC name is tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID53419941
Molecular FormulaC19H36N2O4
Molecular Weight356.51 g/mol
Exact Mass356.27
IUPAC Nametert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N2O4/c1-17(2,3)20-10-11-21(16(23)25-19(7,8)9)14(13-20)12-15(22)24-18(4,5)6/h14H,10-13H2,1-9H3
InChIKeyCDZTVJBTXMDNDC-UHFFFAOYSA-N
XLogP3.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
CID 58334515
1-O-tert-butyl 2-O-methyl (2S)-4-tert-butylpiperazine-1,2-dicarboxylate
CID 102106555
tert-butyl 2-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 77421281
methyl 4-tert-butyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 58311600
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl (2R)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 11074142
tert-butyl 2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 14105087
ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl 2-(chloromethyl)aziridine-1-carboxylate
CID 170382164
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate (CID 53419941) is tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)CC1CN(C(C)(C)C)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is CDZTVJBTXMDNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O4/c1-17(2,3)20-10-11-21(16(23)25-19(7,8)9)14(13-20)12-15(22)24-18(4,5)6/h14H,10-13H2,1-9H3.
What are the key properties of tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 356.51 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-tert-butyl-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 53419941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).