6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one

C13H22N4O — CID 139525636

IUPAC6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(NC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-8-15-11(12(18)17-10)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXGBJERAUHMFMDJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.23
Rot. Bonds2

About 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one

6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one (PubChem CID 139525636) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one
PubChem CID139525636
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(NC2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C13H22N4O/c1-13(2,3)10-8-15-11(12(18)17-10)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXGBJERAUHMFMDJ-UHFFFAOYSA-N
XLogP1.23
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one (CID 139525636) is 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one is CC(C)(C)c1cnc(NC2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
The InChIKey is XGBJERAUHMFMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-13(2,3)10-8-15-11(12(18)17-10)16-9-4-6-14-7-5-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one?
6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(piperidin-4-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 139525636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).