ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate

C12H21NO5 — CID 110678236

IUPACethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COCCO)C1
InChIInChI=1S/C12H21NO5/c1-2-18-12(16)10-4-3-5-13(8-10)11(15)9-17-7-6-14/h10,14H,2-9H2,1H3
InChIKeySSMWFIVLFXGEDC-UHFFFAOYSA-N
MW259.30 g/mol
LogP-0.20
Rot. Bonds6

About ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate (PubChem CID 110678236) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
PubChem CID110678236
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Nameethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COCCO)C1
InChIInChI=1S/C12H21NO5/c1-2-18-12(16)10-4-3-5-13(8-10)11(15)9-17-7-6-14/h10,14H,2-9H2,1H3
InChIKeySSMWFIVLFXGEDC-UHFFFAOYSA-N
XLogP-0.20
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
CID 94458961
ethyl (3S)-1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 51969024
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate (CID 110678236) is ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COCCO)C1.
What is the InChIKey of ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate?
The InChIKey is SSMWFIVLFXGEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-2-18-12(16)10-4-3-5-13(8-10)11(15)9-17-7-6-14/h10,14H,2-9H2,1H3.
What are the key properties of ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate has a molecular weight of 259.30 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 110678236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).