ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate

C14H24N2O3 — CID 69401181

IUPACethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(C1CCNCC1)N1CCC(=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)13(11-3-7-15-8-4-11)16-9-5-12(17)6-10-16/h11,13,15H,2-10H2,1H3
InChIKeyMLVKFZYWXVLTKS-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.58
Rot. Bonds4

About ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate

ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate (PubChem CID 69401181) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate.

Molecular Properties

Compound Nameethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate
PubChem CID69401181
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Nameethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate
SMILESCCOC(=O)C(C1CCNCC1)N1CCC(=O)CC1
InChIInChI=1S/C14H24N2O3/c1-2-19-14(18)13(11-3-7-15-8-4-11)16-9-5-12(17)6-10-16/h11,13,15H,2-10H2,1H3
InChIKeyMLVKFZYWXVLTKS-UHFFFAOYSA-N
XLogP0.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate?
The IUPAC name of ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate (CID 69401181) is ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate.
What is the SMILES notation for ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate?
The canonical SMILES for ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate is CCOC(=O)C(C1CCNCC1)N1CCC(=O)CC1.
What is the InChIKey of ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate?
The InChIKey is MLVKFZYWXVLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-19-14(18)13(11-3-7-15-8-4-11)16-9-5-12(17)6-10-16/h11,13,15H,2-10H2,1H3.
What are the key properties of ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate?
ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate has a molecular weight of 268.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxopiperidin-1-yl)-2-piperidin-4-ylacetate is sourced from PubChem (CID 69401181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).