ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate

C17H30N2O3 — CID 656194

IUPACethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N2C(C)CCCC2C)CC1
InChIInChI=1S/C17H30N2O3/c1-4-22-17(21)15-8-10-18(11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15H,4-12H2,1-3H3
InChIKeyBDURQXGQVQENRV-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds4

About ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 656194) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID656194
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nameethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)N2C(C)CCCC2C)CC1
InChIInChI=1S/C17H30N2O3/c1-4-22-17(21)15-8-10-18(11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15H,4-12H2,1-3H3
InChIKeyBDURQXGQVQENRV-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate (CID 656194) is ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)N2C(C)CCCC2C)CC1.
What is the InChIKey of ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is BDURQXGQVQENRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-4-22-17(21)15-8-10-18(11-9-15)12-16(20)19-13(2)6-5-7-14(19)3/h13-15H,4-12H2,1-3H3.
What are the key properties of ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 656194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).