ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate

C16H29N3O3 — CID 134055468

IUPACethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC(=O)N2CCCCC2C)CC1
InChIInChI=1S/C16H29N3O3/c1-3-22-16(21)13-18-10-8-17(9-11-18)12-15(20)19-7-5-4-6-14(19)2/h14H,3-13H2,1-2H3
InChIKeyWASKPJCCVPXCCZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.57
Rot. Bonds5

About ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate

ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate (PubChem CID 134055468) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
PubChem CID134055468
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nameethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(CC(=O)N2CCCCC2C)CC1
InChIInChI=1S/C16H29N3O3/c1-3-22-16(21)13-18-10-8-17(9-11-18)12-15(20)19-7-5-4-6-14(19)2/h14H,3-13H2,1-2H3
InChIKeyWASKPJCCVPXCCZ-UHFFFAOYSA-N
XLogP0.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate (CID 134055468) is ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate is CCOC(=O)CN1CCN(CC(=O)N2CCCCC2C)CC1.
What is the InChIKey of ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate?
The InChIKey is WASKPJCCVPXCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-22-16(21)13-18-10-8-17(9-11-18)12-15(20)19-7-5-4-6-14(19)2/h14H,3-13H2,1-2H3.
What are the key properties of ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate?
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate has a molecular weight of 311.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate is sourced from PubChem (CID 134055468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).