3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one

C14H21N5O — CID 59825914

IUPAC3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(C)N1CCC(n2c(=O)[nH]c3nccnc32)CC1
InChIInChI=1S/C14H21N5O/c1-14(2,3)18-8-4-10(5-9-18)19-12-11(17-13(19)20)15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17,20)
InChIKeyFGWSOXGBLUSWBS-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.55
Rot. Bonds1

About 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 59825914) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID59825914
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)(C)N1CCC(n2c(=O)[nH]c3nccnc32)CC1
InChIInChI=1S/C14H21N5O/c1-14(2,3)18-8-4-10(5-9-18)19-12-11(17-13(19)20)15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17,20)
InChIKeyFGWSOXGBLUSWBS-UHFFFAOYSA-N
XLogP1.55
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 59825914) is 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one is CC(C)(C)N1CCC(n2c(=O)[nH]c3nccnc32)CC1.
What is the InChIKey of 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is FGWSOXGBLUSWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-14(2,3)18-8-4-10(5-9-18)19-12-11(17-13(19)20)15-6-7-16-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,17,20).
What are the key properties of 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 275.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpiperidin-4-yl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 59825914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).