tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one

C44H83N5O8 — CID 157263405

IUPACtert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one
SMILESCCC1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCNCC1.O=C1CCOCC1
InChIInChI=1S/C16H30N2O3.C12H23NO.C11H22N2O2.C5H8O2/c1-16(2,3)21-15(19)17(4)13-5-9-18(10-6-13)14-7-11-20-12-8-14;1-2-11-3-7-13(8-4-11)12-5-9-14-10-6-12;1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;6-5-1-3-7-4-2-5/h13-14H,5-12H2,1-4H3;11-12H,2-10H2,1H3;9,12H,5-8H2,1-4H3;1-4H2
InChIKeyAXSLKUWIXYPWAO-UHFFFAOYSA-N
MW810.17 g/mol
LogP6.76
Rot. Bonds5

About tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one

tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one (PubChem CID 157263405) has the molecular formula C44H83N5O8 and a molecular weight of 810.17 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one
PubChem CID157263405
Molecular FormulaC44H83N5O8
Molecular Weight810.17 g/mol
Exact Mass809.62
IUPAC Nametert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one
SMILESCCC1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCNCC1.O=C1CCOCC1
InChIInChI=1S/C16H30N2O3.C12H23NO.C11H22N2O2.C5H8O2/c1-16(2,3)21-15(19)17(4)13-5-9-18(10-6-13)14-7-11-20-12-8-14;1-2-11-3-7-13(8-4-11)12-5-9-14-10-6-12;1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;6-5-1-3-7-4-2-5/h13-14H,5-12H2,1-4H3;11-12H,2-10H2,1H3;9,12H,5-8H2,1-4H3;1-4H2
InChIKeyAXSLKUWIXYPWAO-UHFFFAOYSA-N
XLogP6.76
TPSA122.35 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500810.17
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-(4-methoxypiperidin-1-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;4-methoxypiperidine;4-methoxy-1-piperidin-4-ylpiperidine
CID 157517180
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;diiodovanadium;ethane;2-iodobutane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;propane;triiodovanadium;triiodide
CID 158922285
tert-butyl N-piperidin-4-ylcarbamate;oxan-4-one;1-(oxan-4-yl)piperidin-4-amine;dihydrochloride
CID 159243982
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;triiodide
CID 160554558
tert-butyl N-piperidin-4-ylcarbamate;1-(oxan-4-yl)piperidin-4-amine;2,3,5,6-tetrahydropyran-5-ylium-4-one;dihydrochloride
CID 161624593
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;1-(1-methylcyclohexyl)piperidin-4-amine;oxan-4-one;triiodide
CID 161856162
tert-butyl N-[1-(4-methyloxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-piperidin-4-ylcarbamate;ethane;2-iodobutane;methane;1-(4-methyloxan-4-yl)piperidin-4-amine;oxan-4-one;vanadium;triiodide
CID 162234323

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one?
The IUPAC name of tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one (CID 157263405) is tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one?
The canonical SMILES for tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one is CCC1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCN(C2CCOCC2)CC1.CN(C(=O)OC(C)(C)C)C1CCNCC1.O=C1CCOCC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one?
The InChIKey is AXSLKUWIXYPWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3.C12H23NO.C11H22N2O2.C5H8O2/c1-16(2,3)21-15(19)17(4)13-5-9-18(10-6-13)14-7-11-20-12-8-14;1-2-11-3-7-13(8-4-11)12-5-9-14-10-6-12;1-11(2,3)15-10(14)13(4)9-5-7-12-8-6-9;6-5-1-3-7-4-2-5/h13-14H,5-12H2,1-4H3;11-12H,2-10H2,1H3;9,12H,5-8H2,1-4H3;1-4H2.
What are the key properties of tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one?
tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one has a molecular weight of 810.17 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]carbamate;tert-butyl N-methyl-N-piperidin-4-ylcarbamate;4-ethyl-1-(oxan-4-yl)piperidine;oxan-4-one is sourced from PubChem (CID 157263405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).