N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide

C14H28N4O2 — CID 108517977

IUPACN'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCN(C(=O)C(=O)NCCN1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H28N4O2/c1-5-18(14(2,3)4)13(20)12(19)16-8-11-17-9-6-15-7-10-17/h15H,5-11H2,1-4H3,(H,16,19)
InChIKeyHBCRZTFKAUHWFT-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.35
Rot. Bonds4

About N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide

N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide (PubChem CID 108517977) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
PubChem CID108517977
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide
SMILESCCN(C(=O)C(=O)NCCN1CCNCC1)C(C)(C)C
InChIInChI=1S/C14H28N4O2/c1-5-18(14(2,3)4)13(20)12(19)16-8-11-17-9-6-15-7-10-17/h15H,5-11H2,1-4H3,(H,16,19)
InChIKeyHBCRZTFKAUHWFT-UHFFFAOYSA-N
XLogP-0.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide?
The IUPAC name of N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide (CID 108517977) is N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide is CCN(C(=O)C(=O)NCCN1CCNCC1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide?
The InChIKey is HBCRZTFKAUHWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-5-18(14(2,3)4)13(20)12(19)16-8-11-17-9-6-15-7-10-17/h15H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide?
N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide has a molecular weight of 284.40 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-N-(2-piperazin-1-ylethyl)oxamide is sourced from PubChem (CID 108517977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).