ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate

C11H20N2O3 — CID 2228482

IUPACethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-4-16-10(14)9-6-5-7-13(8-9)11(15)12(2)3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyXACUGTLIDFTGLI-SECBINFHSA-N
MW228.29 g/mol
LogP0.94
Rot. Bonds2

About ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate

ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate (PubChem CID 2228482) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
PubChem CID2228482
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nameethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1
InChIInChI=1S/C11H20N2O3/c1-4-16-10(14)9-6-5-7-13(8-9)11(15)12(2)3/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyXACUGTLIDFTGLI-SECBINFHSA-N
XLogP0.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate (CID 2228482) is ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)N(C)C)C1.
What is the InChIKey of ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate?
The InChIKey is XACUGTLIDFTGLI-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-16-10(14)9-6-5-7-13(8-9)11(15)12(2)3/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate?
ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(dimethylcarbamoyl)piperidine-3-carboxylate is sourced from PubChem (CID 2228482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).