ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate

C13H22N2O3 — CID 653880

IUPACethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyWEXVERZLWDAUKF-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds5

About ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate

ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 653880) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID653880
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)NC2CC2)C1
InChIInChI=1S/C13H22N2O3/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyWEXVERZLWDAUKF-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 653880) is ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)NC2CC2)C1.
What is the InChIKey of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is WEXVERZLWDAUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-13(17)10-4-3-7-15(8-10)9-12(16)14-11-5-6-11/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(cyclopropylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 653880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).