tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate

C18H31NO5 — CID 129278282

IUPACtert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
SMILESCCOC(=O)C1CC1(C)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H31NO5/c1-6-22-15(20)14-11-18(14,5)12-23-13-7-9-19(10-8-13)16(21)24-17(2,3)4/h13-14H,6-12H2,1-5H3
InChIKeyUSAFEGLUSUWGME-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.99
Rot. Bonds5

About tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate

tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate (PubChem CID 129278282) has the molecular formula C18H31NO5 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
PubChem CID129278282
Molecular FormulaC18H31NO5
Molecular Weight341.45 g/mol
Exact Mass341.22
IUPAC Nametert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate
SMILESCCOC(=O)C1CC1(C)COC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H31NO5/c1-6-22-15(20)14-11-18(14,5)12-23-13-7-9-19(10-8-13)16(21)24-17(2,3)4/h13-14H,6-12H2,1-5H3
InChIKeyUSAFEGLUSUWGME-UHFFFAOYSA-N
XLogP2.99
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylic acid
CID 129278711
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
2-O-ethyl 1-O-methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]cyclopropane-1,2-dicarboxylate
CID 177211824
tert-butyl 4-(2-hydroxy-2-methylpropoxy)piperidine-1-carboxylate
CID 70848320
tert-butyl 4-(2-aminoprop-2-enoxy)piperidine-1-carboxylate
CID 143388075
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyacetate
CID 6987532
1-O-tert-butyl 4-O-ethyl 3-methoxypiperidine-1,4-dicarboxylate
CID 67333652
tert-butyl 4-[(4-methylphenyl)methoxy]piperidine-1-carboxylate
CID 19796267
tert-butyl 9-(2-ethoxy-2-oxoethoxy)-3-azaspiro[5.5]undecane-3-carboxylate
CID 178069186
tert-butyl 4-(2-methylprop-2-enoxy)piperidine-1-carboxylate
CID 129278353
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
1-O-tert-butyl 3-O-ethyl (3S,4R)-4-hydroxypiperidine-1,3-dicarboxylate
CID 10492484

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate (CID 129278282) is tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate is CCOC(=O)C1CC1(C)COC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate?
The InChIKey is USAFEGLUSUWGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO5/c1-6-22-15(20)14-11-18(14,5)12-23-13-7-9-19(10-8-13)16(21)24-17(2,3)4/h13-14H,6-12H2,1-5H3.
What are the key properties of tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate?
tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate has a molecular weight of 341.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-ethoxycarbonyl-1-methylcyclopropyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 129278282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).