tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate

C19H35N3O4 — CID 66941718

IUPACtert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)CN1CCC(C)(N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-6-25-16(23)15-20-9-7-19(5,8-10-20)22-13-11-21(12-14-22)17(24)26-18(2,3)4/h6-15H2,1-5H3
InChIKeyJNWGEGCGHICQOD-UHFFFAOYSA-N
MW369.51 g/mol
LogP1.96
Rot. Bonds4

About tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate

tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate (PubChem CID 66941718) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate
PubChem CID66941718
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nametert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)CN1CCC(C)(N2CCN(C(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-6-25-16(23)15-20-9-7-19(5,8-10-20)22-13-11-21(12-14-22)17(24)26-18(2,3)4/h6-15H2,1-5H3
InChIKeyJNWGEGCGHICQOD-UHFFFAOYSA-N
XLogP1.96
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate (CID 66941718) is tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate is CCOC(=O)CN1CCC(C)(N2CCN(C(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate?
The InChIKey is JNWGEGCGHICQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-6-25-16(23)15-20-9-7-19(5,8-10-20)22-13-11-21(12-14-22)17(24)26-18(2,3)4/h6-15H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate?
tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate has a molecular weight of 369.51 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(2-ethoxy-2-oxoethyl)-4-methylpiperidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 66941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).