tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate

C20H36N4O3 — CID 57442344

IUPACtert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-20(2,3)27-19(26)21-16-7-9-22(10-8-16)15-18(25)24-13-11-23(12-14-24)17-5-4-6-17/h16-17H,4-15H2,1-3H3,(H,21,26)
InChIKeyVJOKFQBPCSSFAB-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.67
Rot. Bonds4

About tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate (PubChem CID 57442344) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate
PubChem CID57442344
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Nametert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1
InChIInChI=1S/C20H36N4O3/c1-20(2,3)27-19(26)21-16-7-9-22(10-8-16)15-18(25)24-13-11-23(12-14-24)17-5-4-6-17/h16-17H,4-15H2,1-3H3,(H,21,26)
InChIKeyVJOKFQBPCSSFAB-UHFFFAOYSA-N
XLogP1.67
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate (CID 57442344) is tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate?
The InChIKey is VJOKFQBPCSSFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-20(2,3)27-19(26)21-16-7-9-22(10-8-16)15-18(25)24-13-11-23(12-14-24)17-5-4-6-17/h16-17H,4-15H2,1-3H3,(H,21,26).
What are the key properties of tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate has a molecular weight of 380.53 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 57442344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).