ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate

C13H22N2O3 — CID 11010525

IUPACethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2=O)CCNCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(17)13(6-8-14-9-7-13)15-10-4-3-5-11(15)16/h14H,2-10H2,1H3
InChIKeyUUIXGQXDUVVUFQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

About ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate

ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate (PubChem CID 11010525) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
PubChem CID11010525
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Nameethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(N2CCCCC2=O)CCNCC1
InChIInChI=1S/C13H22N2O3/c1-2-18-12(17)13(6-8-14-9-7-13)15-10-4-3-5-11(15)16/h14H,2-10H2,1H3
InChIKeyUUIXGQXDUVVUFQ-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate (CID 11010525) is ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate is CCOC(=O)C1(N2CCCCC2=O)CCNCC1.
What is the InChIKey of ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
The InChIKey is UUIXGQXDUVVUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-18-12(17)13(6-8-14-9-7-13)15-10-4-3-5-11(15)16/h14H,2-10H2,1H3.
What are the key properties of ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate?
ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-oxopiperidin-1-yl)piperidine-4-carboxylate is sourced from PubChem (CID 11010525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).