tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane

C15H30N2O4 — CID 142129006

IUPACtert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
SMILESCC.CON(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4.C2H6/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyJFRWOQUDXWODRB-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds2

About tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane

tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane (PubChem CID 142129006) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
PubChem CID142129006
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Nametert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
SMILESCC.CON(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4.C2H6/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5;1-2/h10H,6-9H2,1-5H3;1-2H3
InChIKeyJFRWOQUDXWODRB-UHFFFAOYSA-N
XLogP2.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-methoxy-1-N,1-N,3-N-trimethylpiperidine-1,3-dicarboxamide
CID 60767416
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
(3R)-3-N-methoxy-3-N-methyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94123913
potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
CID 142544940
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl (3S)-3-(2,2-dicyano-1-methoxyethenyl)piperidine-1-carboxylate
CID 93481128
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 3-[(3-ethoxy-3-oxopropyl)-propylcarbamoyl]piperidine-1-carboxylate
CID 84556152
tert-butyl (3S)-3-[cyclohexyl(cyclohexylcarbamoyl)carbamoyl]piperidine-1-carboxylate
CID 59918929
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane (CID 142129006) is tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane is CC.CON(C)C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane?
The InChIKey is JFRWOQUDXWODRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.C2H6/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5;1-2/h10H,6-9H2,1-5H3;1-2H3.
What are the key properties of tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane?
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane has a molecular weight of 302.42 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 142129006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).