ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate

C11H19NO4 — CID 4778007

IUPACethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COC)C1
InChIInChI=1S/C11H19NO4/c1-3-16-11(14)9-5-4-6-12(7-9)10(13)8-15-2/h9H,3-8H2,1-2H3
InChIKeyBFHBNQLKXYFVKQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds4

About ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate

ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate (PubChem CID 4778007) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
PubChem CID4778007
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COC)C1
InChIInChI=1S/C11H19NO4/c1-3-16-11(14)9-5-4-6-12(7-9)10(13)8-15-2/h9H,3-8H2,1-2H3
InChIKeyBFHBNQLKXYFVKQ-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate (CID 4778007) is ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COC)C1.
What is the InChIKey of ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate?
The InChIKey is BFHBNQLKXYFVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-16-11(14)9-5-4-6-12(7-9)10(13)8-15-2/h9H,3-8H2,1-2H3.
What are the key properties of ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate?
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 4778007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).