ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate

C12H21NO4 — CID 112688316

IUPACethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)OC
InChIInChI=1S/C12H21NO4/c1-4-17-12(15)10-7-5-6-8-13(10)11(14)9(2)16-3/h9-10H,4-8H2,1-3H3
InChIKeyUHPPCRATNRGQQL-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.97
Rot. Bonds4

About ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate

ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate (PubChem CID 112688316) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
PubChem CID112688316
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nameethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(C)OC
InChIInChI=1S/C12H21NO4/c1-4-17-12(15)10-7-5-6-8-13(10)11(14)9(2)16-3/h9-10H,4-8H2,1-3H3
InChIKeyUHPPCRATNRGQQL-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
ethyl 1-[(2R)-2-amino-3,3-dimethylbutanoyl]piperidine-2-carboxylate
CID 103929382
ethyl 1-(2-methoxypropanoyl)piperazine-2-carboxylate
CID 113265828
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 1-[(2R)-2-amino-4-methylsulfanylbutanoyl]piperidine-2-carboxylate
CID 104907897
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670640
ethyl (2S)-1-[2-(4-hydroxyphenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 141452248

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate (CID 112688316) is ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(C)OC.
What is the InChIKey of ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate?
The InChIKey is UHPPCRATNRGQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-4-17-12(15)10-7-5-6-8-13(10)11(14)9(2)16-3/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate?
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 112688316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).