methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate

C12H21NO4 — CID 115536932

IUPACmethyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C(C)N1CCCCC1C(=O)OC
InChIInChI=1S/C12H21NO4/c1-4-17-11(14)9(2)13-8-6-5-7-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyOYRNSDCTFANBCC-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds4

About methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate

methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate (PubChem CID 115536932) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
PubChem CID115536932
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C(C)N1CCCCC1C(=O)OC
InChIInChI=1S/C12H21NO4/c1-4-17-11(14)9(2)13-8-6-5-7-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3
InChIKeyOYRNSDCTFANBCC-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate (CID 115536932) is methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate is CCOC(=O)C(C)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate?
The InChIKey is OYRNSDCTFANBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-17-11(14)9(2)13-8-6-5-7-10(13)12(15)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate?
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate is sourced from PubChem (CID 115536932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).