N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

C13H26N4O2 — CID 54904322

IUPACN-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)15-11(18)9-16(4)10-12(19)17-7-5-14-6-8-17/h14H,5-10H2,1-4H3,(H,15,18)
InChIKeyWUIINCASGRFVRX-UHFFFAOYSA-N
MW270.38 g/mol
LogP-0.74
Rot. Bonds4

About N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide

N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (PubChem CID 54904322) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
PubChem CID54904322
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(=O)N1CCNCC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)15-11(18)9-16(4)10-12(19)17-7-5-14-6-8-17/h14H,5-10H2,1-4H3,(H,15,18)
InChIKeyWUIINCASGRFVRX-UHFFFAOYSA-N
XLogP-0.74
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
methyl N-[2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetyl]carbamate
CID 54903931
N-cyclopropyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914949
N-(cyanomethyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903898
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 54904152
2-[methyl(3,3,3-trifluoropropyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915067
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119914877
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide (CID 54904322) is N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is CN(CC(=O)NC(C)(C)C)CC(=O)N1CCNCC1.
What is the InChIKey of N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
The InChIKey is WUIINCASGRFVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2,3)15-11(18)9-16(4)10-12(19)17-7-5-14-6-8-17/h14H,5-10H2,1-4H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide?
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide has a molecular weight of 270.38 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide is sourced from PubChem (CID 54904322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).