tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate

C18H34N2O4 — CID 113351202

IUPACtert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
SMILESCCCC(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4/c1-7-8-14(2)19-15(21)13-23-18(6)9-11-20(12-10-18)16(22)24-17(3,4)5/h14H,7-13H2,1-6H3,(H,19,21)
InChIKeyBWRQRGXHIFFIHU-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.10
Rot. Bonds6

About tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate

tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate (PubChem CID 113351202) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
PubChem CID113351202
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nametert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate
SMILESCCCC(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O4/c1-7-8-14(2)19-15(21)13-23-18(6)9-11-20(12-10-18)16(22)24-17(3,4)5/h14H,7-13H2,1-6H3,(H,19,21)
InChIKeyBWRQRGXHIFFIHU-UHFFFAOYSA-N
XLogP3.10
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]piperidine-1-carboxylate
CID 103915982
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tert-butyl 3-[2-(ethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
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tert-butyl 4-(2,2-dimethoxyethoxy)-4-methylpiperidine-1-carboxylate
CID 83206348
tert-butyl 3-[2-(tert-butylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916206
tert-butyl 4-methyl-4-(2,2,2-trifluoroethoxy)piperidine-1-carboxylate
CID 83207570
tert-butyl 4-methyl-4-(3-methylbutanoyloxy)piperidine-1-carboxylate
CID 160869586
tert-butyl 3-methyl-3-[(pentan-2-ylamino)methyl]piperidine-1-carboxylate
CID 104530867
tert-butyl 4-[2-(dimethylamino)ethoxy]-4-methylpiperidine-1-carboxylate
CID 83206653
tert-butyl 4-methyl-4-propylpiperidine-1-carboxylate
CID 145107910
tert-butyl 3-(3-hydroxybutoxy)-3-methylpyrrolidine-1-carboxylate
CID 106938832
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methylpyrrolidine-1-carboxylate
CID 103916187

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate (CID 113351202) is tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate is CCCC(C)NC(=O)COC1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate?
The InChIKey is BWRQRGXHIFFIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-7-8-14(2)19-15(21)13-23-18(6)9-11-20(12-10-18)16(22)24-17(3,4)5/h14H,7-13H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate?
tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-[2-oxo-2-(pentan-2-ylamino)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 113351202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).