1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate

C14H24N2O5 — CID 47013868

IUPAC1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate
SMILESCNC(=O)COC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-7-5-6-10(8-16)12(18)20-9-11(17)15-4/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyKOBDZJNHNZWJEN-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.92
Rot. Bonds3

About 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate (PubChem CID 47013868) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate
PubChem CID47013868
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate
SMILESCNC(=O)COC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-7-5-6-10(8-16)12(18)20-9-11(17)15-4/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyKOBDZJNHNZWJEN-UHFFFAOYSA-N
XLogP0.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-O-tert-butyl 3-O-[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55443009
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
1-O-tert-butyl 3-O-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55443330
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
3-O-[(Z)-but-2-enyl] 1-O-tert-butyl azepane-1,3-dicarboxylate
CID 166688542
1-O-tert-butyl 3-O-ethyl (3R)-piperidine-1,3-dicarboxylate;ethyl (3R)-piperidine-3-carboxylate
CID 158843375
tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
1-O-tert-butyl 3-O-[2-[(3-carbamoyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl] piperidine-1,3-dicarboxylate
CID 55443277
(E)-but-2-en-1-ol;3-O-[(E)-but-2-enyl] 1-O-tert-butyl piperidine-1,3-dicarboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 157231399
tert-butyl 3-pentanoylpiperidine-1-carboxylate
CID 82092945
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate (CID 47013868) is 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate is CNC(=O)COC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate?
The InChIKey is KOBDZJNHNZWJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-14(2,3)21-13(19)16-7-5-6-10(8-16)12(18)20-9-11(17)15-4/h10H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate has a molecular weight of 300.36 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-[2-(methylamino)-2-oxoethyl] piperidine-1,3-dicarboxylate is sourced from PubChem (CID 47013868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).