tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

C18H36N4O2 — CID 134435195

IUPACtert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-6-21-11-13-22(14-12-21)15-18(7-9-20(5)10-8-18)19-16(23)24-17(2,3)4/h6-15H2,1-5H3,(H,19,23)
InChIKeyYLQVZCWUUUYKMB-UHFFFAOYSA-N
MW340.51 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (PubChem CID 134435195) has the molecular formula C18H36N4O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
PubChem CID134435195
Molecular FormulaC18H36N4O2
Molecular Weight340.51 g/mol
Exact Mass340.28
IUPAC Nametert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C)CC2)CC1
InChIInChI=1S/C18H36N4O2/c1-6-21-11-13-22(14-12-21)15-18(7-9-20(5)10-8-18)19-16(23)24-17(2,3)4/h6-15H2,1-5H3,(H,19,23)
InChIKeyYLQVZCWUUUYKMB-UHFFFAOYSA-N
XLogP1.61
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (CID 134435195) is tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is CCN1CCN(CC2(NC(=O)OC(C)(C)C)CCN(C)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The InChIKey is YLQVZCWUUUYKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2/c1-6-21-11-13-22(14-12-21)15-18(7-9-20(5)10-8-18)19-16(23)24-17(2,3)4/h6-15H2,1-5H3,(H,19,23).
What are the key properties of tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate has a molecular weight of 340.51 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134435195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).