N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

C13H21N5O — CID 33384049

IUPACN-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N5O/c1-11(2)9-16-13(19)18-7-5-17(6-8-18)12-10-14-3-4-15-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,19)
InChIKeyGMAKMEPJCQHVAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds3

About N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide

N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (PubChem CID 33384049) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
PubChem CID33384049
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C13H21N5O/c1-11(2)9-16-13(19)18-7-5-17(6-8-18)12-10-14-3-4-15-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,19)
InChIKeyGMAKMEPJCQHVAK-UHFFFAOYSA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide (CID 33384049) is N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
The InChIKey is GMAKMEPJCQHVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-11(2)9-16-13(19)18-7-5-17(6-8-18)12-10-14-3-4-15-12/h3-4,10-11H,5-9H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide?
N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-pyrazin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 33384049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).