4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one

C14H23N5O — CID 91650226

IUPAC4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(c2nccnc2N(C)C)CC1=O
InChIInChI=1S/C14H23N5O/c1-11(2)9-18-7-8-19(10-12(18)20)14-13(17(3)4)15-5-6-16-14/h5-6,11H,7-10H2,1-4H3
InChIKeyNHLFUBOYSBKIAG-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.85
Rot. Bonds4

About 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one

4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one (PubChem CID 91650226) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one
PubChem CID91650226
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one
SMILESCC(C)CN1CCN(c2nccnc2N(C)C)CC1=O
InChIInChI=1S/C14H23N5O/c1-11(2)9-18-7-8-19(10-12(18)20)14-13(17(3)4)15-5-6-16-14/h5-6,11H,7-10H2,1-4H3
InChIKeyNHLFUBOYSBKIAG-UHFFFAOYSA-N
XLogP0.85
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one (CID 91650226) is 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one is CC(C)CN1CCN(c2nccnc2N(C)C)CC1=O.
What is the InChIKey of 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one?
The InChIKey is NHLFUBOYSBKIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(2)9-18-7-8-19(10-12(18)20)14-13(17(3)4)15-5-6-16-14/h5-6,11H,7-10H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one?
4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)pyrazin-2-yl]-1-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 91650226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).