tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate

C17H34N4O3 — CID 130233844

IUPACtert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate
SMILESCCCN1CCN(CCNC(=O)CN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N4O3/c1-6-8-20-10-12-21(13-11-20)9-7-18-15(22)14-19(5)16(23)24-17(2,3)4/h6-14H2,1-5H3,(H,18,22)
InChIKeyITPSNKOBFYOEFB-UHFFFAOYSA-N
MW342.48 g/mol
LogP1.00
Rot. Bonds7

About tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate

tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate (PubChem CID 130233844) has the molecular formula C17H34N4O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate
PubChem CID130233844
Molecular FormulaC17H34N4O3
Molecular Weight342.48 g/mol
Exact Mass342.26
IUPAC Nametert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate
SMILESCCCN1CCN(CCNC(=O)CN(C)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N4O3/c1-6-8-20-10-12-21(13-11-20)9-7-18-15(22)14-19(5)16(23)24-17(2,3)4/h6-14H2,1-5H3,(H,18,22)
InChIKeyITPSNKOBFYOEFB-UHFFFAOYSA-N
XLogP1.00
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate (CID 130233844) is tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate is CCCN1CCN(CCNC(=O)CN(C)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate?
The InChIKey is ITPSNKOBFYOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3/c1-6-8-20-10-12-21(13-11-20)9-7-18-15(22)14-19(5)16(23)24-17(2,3)4/h6-14H2,1-5H3,(H,18,22).
What are the key properties of tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate has a molecular weight of 342.48 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-oxo-2-[2-(4-propylpiperazin-1-yl)ethylamino]ethyl]carbamate is sourced from PubChem (CID 130233844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).