tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate

C17H30N2O4 — CID 103916054

IUPACtert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate
SMILESC=CCNC(=O)COC1(CC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-6-10-18-14(20)13-22-17(7-2)8-11-19(12-9-17)15(21)23-16(3,4)5/h6H,1,7-13H2,2-5H3,(H,18,20)
InChIKeyQVVKBGICLGDQGS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.48
Rot. Bonds6

About tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate

tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate (PubChem CID 103916054) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate
PubChem CID103916054
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate
SMILESC=CCNC(=O)COC1(CC)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H30N2O4/c1-6-10-18-14(20)13-22-17(7-2)8-11-19(12-9-17)15(21)23-16(3,4)5/h6H,1,7-13H2,2-5H3,(H,18,20)
InChIKeyQVVKBGICLGDQGS-UHFFFAOYSA-N
XLogP2.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[2-(cyanomethylamino)-2-oxoethoxy]-4-ethylpiperidine-1-carboxylate
CID 103916019
tert-butyl 4-ethyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]piperidine-1-carboxylate
CID 103939659
tert-butyl 3-ethyl-3-(2-methylprop-2-enoxy)pyrrolidine-1-carboxylate
CID 83206245
tert-butyl 3-(3-chloro-2-methylprop-2-enoxy)-3-ethylpyrrolidine-1-carboxylate
CID 106439139
tert-butyl 4-but-3-ynoxy-4-ethylpiperidine-1-carboxylate
CID 83206243
tert-butyl 4-ethyl-4-(3,3,3-trifluoropropoxy)piperidine-1-carboxylate
CID 103916041
tert-butyl 4-ethyl-4-(4-methoxy-4-oxobutoxy)piperidine-1-carboxylate
CID 106940667
tert-butyl 3-ethyl-3-hept-6-enoxypyrrolidine-1-carboxylate
CID 107007740
tert-butyl 4-ethyl-4-(4,4,4-trifluorobutoxy)piperidine-1-carboxylate
CID 103916044
tert-butyl 4-(cyclohexylmethoxy)-4-ethylpiperidine-1-carboxylate
CID 103916009
tert-butyl 4-[3-(dimethylamino)-3-oxopropoxy]-4-ethylpiperidine-1-carboxylate
CID 103916049
tert-butyl 4-[[1-(cyanomethyl)cyclopropyl]methoxy]-4-ethylpiperidine-1-carboxylate
CID 103916059

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate (CID 103916054) is tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate is C=CCNC(=O)COC1(CC)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate?
The InChIKey is QVVKBGICLGDQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-6-10-18-14(20)13-22-17(7-2)8-11-19(12-9-17)15(21)23-16(3,4)5/h6H,1,7-13H2,2-5H3,(H,18,20).
What are the key properties of tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate?
tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-ethyl-4-[2-oxo-2-(prop-2-enylamino)ethoxy]piperidine-1-carboxylate is sourced from PubChem (CID 103916054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).