N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide

C13H27N3O — CID 79470493

IUPACN-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CNC(C)CN1
InChIInChI=1S/C13H27N3O/c1-5-10(3)9-16(6-2)13(17)12-8-14-11(4)7-15-12/h10-12,14-15H,5-9H2,1-4H3
InChIKeyWUAIMSPCNDGYPL-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.83
Rot. Bonds5

About N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide

N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide (PubChem CID 79470493) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
PubChem CID79470493
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide
SMILESCCC(C)CN(CC)C(=O)C1CNC(C)CN1
InChIInChI=1S/C13H27N3O/c1-5-10(3)9-16(6-2)13(17)12-8-14-11(4)7-15-12/h10-12,14-15H,5-9H2,1-4H3
InChIKeyWUAIMSPCNDGYPL-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide (CID 79470493) is N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide is CCC(C)CN(CC)C(=O)C1CNC(C)CN1.
What is the InChIKey of N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide?
The InChIKey is WUAIMSPCNDGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-5-10(3)9-16(6-2)13(17)12-8-14-11(4)7-15-12/h10-12,14-15H,5-9H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide?
N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(2-methylbutyl)piperazine-2-carboxamide is sourced from PubChem (CID 79470493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).