3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate

C10H17NO4 — CID 51681874

IUPAC3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)OC)C1
InChIInChI=1S/C10H17NO4/c1-3-15-9(12)8-5-4-6-11(7-8)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyNSQADOWEGPBCMN-QMMMGPOBSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds2

About 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate

3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate (PubChem CID 51681874) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
PubChem CID51681874
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)OC)C1
InChIInChI=1S/C10H17NO4/c1-3-15-9(12)8-5-4-6-11(7-8)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyNSQADOWEGPBCMN-QMMMGPOBSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-O-ethyl 1-O-propan-2-yl (3S)-piperidine-1,3-dicarboxylate
CID 115536035
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-[2-(cyanomethylamino)-2-oxoacetyl]piperidine-3-carboxylate
CID 43316014
ethyl 1-(2-amino-2-ethylbutanoyl)piperidine-3-carboxylate
CID 79810016
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3S)-1-(diethylcarbamoyl)piperidine-3-carboxylate
CID 7378827
methyl 3-acetylpiperidine-1-carboxylate
CID 59841149
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl (3S)-1-[(E)-but-2-enoyl]piperidine-3-carboxylate
CID 81344952
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl (3S)-1-(3-methylbut-2-enoyl)piperidine-3-carboxylate
CID 81344389
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate (CID 51681874) is 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate is CCOC(=O)[C@H]1CCCN(C(=O)OC)C1.
What is the InChIKey of 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate?
The InChIKey is NSQADOWEGPBCMN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-15-9(12)8-5-4-6-11(7-8)10(13)14-2/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate is sourced from PubChem (CID 51681874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).