tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

C20H38N4O3 — CID 69239564

IUPACtert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C20H38N4O3/c1-16(2)14-24(17-6-8-21-9-7-17)18(25)15-22-10-12-23(13-11-22)19(26)27-20(3,4)5/h16-17,21H,6-15H2,1-5H3
InChIKeyOHFZLDODRXXJLP-UHFFFAOYSA-N
MW382.55 g/mol
LogP1.78
Rot. Bonds5

About tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (PubChem CID 69239564) has the molecular formula C20H38N4O3 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
PubChem CID69239564
Molecular FormulaC20H38N4O3
Molecular Weight382.55 g/mol
Exact Mass382.29
IUPAC Nametert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate
SMILESCC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1
InChIInChI=1S/C20H38N4O3/c1-16(2)14-24(17-6-8-21-9-7-17)18(25)15-22-10-12-23(13-11-22)19(26)27-20(3,4)5/h16-17,21H,6-15H2,1-5H3
InChIKeyOHFZLDODRXXJLP-UHFFFAOYSA-N
XLogP1.78
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate (CID 69239564) is tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is CC(C)CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C1CCNCC1.
What is the InChIKey of tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
The InChIKey is OHFZLDODRXXJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O3/c1-16(2)14-24(17-6-8-21-9-7-17)18(25)15-22-10-12-23(13-11-22)19(26)27-20(3,4)5/h16-17,21H,6-15H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate has a molecular weight of 382.55 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[2-methylpropyl(piperidin-4-yl)amino]-2-oxoethyl]piperazine-1-carboxylate is sourced from PubChem (CID 69239564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).