tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate

C18H34N2O4 — CID 119029022

IUPACtert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C18H34N2O4/c1-9-19(15(21)23-17(3,4)5)14-10-11-20(13(2)12-14)16(22)24-18(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyQUKKOZFOWPKMIX-UHFFFAOYSA-N
MW342.48 g/mol
LogP4.03
Rot. Bonds2

About tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate

tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate (PubChem CID 119029022) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
PubChem CID119029022
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nametert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate
SMILESCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)C(C)C1
InChIInChI=1S/C18H34N2O4/c1-9-19(15(21)23-17(3,4)5)14-10-11-20(13(2)12-14)16(22)24-18(6,7)8/h13-14H,9-12H2,1-8H3
InChIKeyQUKKOZFOWPKMIX-UHFFFAOYSA-N
XLogP4.03
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl N-ethyl-N-[(2R,4S)-2-methylpiperidin-4-yl]carbamate
CID 95913712
tert-butyl (2S)-4-iodo-2-methylpiperidine-1-carboxylate
CID 175815373
tert-butyl (2S)-4-tert-butyl-2-methylpiperidine-1-carboxylate
CID 102268017
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566153
tert-butyl (2R,4S)-4-ethynyl-2-methylpiperidine-1-carboxylate
CID 125425976
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 4-(2-ethoxy-2-oxoethyl)-2-methylpiperidine-1-carboxylate
CID 119029033
tert-butyl (2R)-4-cyano-2-methylpiperidine-1-carboxylate
CID 155905122
1-O-tert-butyl 4-O-(chloromethyl) (2R,4S)-2-methylpiperidine-1,4-dicarboxylate
CID 165438815
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
tert-butyl 2-(diethylaminomethyl)azetidine-1-carboxylate
CID 67107599

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate (CID 119029022) is tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate is CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)C(C)C1.
What is the InChIKey of tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate?
The InChIKey is QUKKOZFOWPKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-9-19(15(21)23-17(3,4)5)14-10-11-20(13(2)12-14)16(22)24-18(6,7)8/h13-14H,9-12H2,1-8H3.
What are the key properties of tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate?
tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate has a molecular weight of 342.48 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 119029022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).