1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one

C14H23N3O2 — CID 114680888

IUPAC1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
SMILESCC1CN(c2nccn(C(C)(C)C)c2=O)CCC1O
InChIInChI=1S/C14H23N3O2/c1-10-9-16(7-5-11(10)18)12-13(19)17(8-6-15-12)14(2,3)4/h6,8,10-11,18H,5,7,9H2,1-4H3
InChIKeyXWQFBCJGVXVDPT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.21
Rot. Bonds1

About 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one

1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one (PubChem CID 114680888) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
PubChem CID114680888
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one
SMILESCC1CN(c2nccn(C(C)(C)C)c2=O)CCC1O
InChIInChI=1S/C14H23N3O2/c1-10-9-16(7-5-11(10)18)12-13(19)17(8-6-15-12)14(2,3)4/h6,8,10-11,18H,5,7,9H2,1-4H3
InChIKeyXWQFBCJGVXVDPT-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-aminopyrrolidin-1-yl)-1-tert-butylpyrazin-2-one
CID 62927962
1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070229
3-[4-(bromomethyl)piperidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80669820
1-tert-butyl-3-[4-(methylaminomethyl)piperidin-1-yl]pyrazin-2-one
CID 62928367
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
3-[(3R)-3-hydroxypyrrolidin-1-yl]-1-methylpyrazin-2-one
CID 103696647
3-methyl-1-(3-methylsulfonyl-2-pyridinyl)piperidin-4-ol
CID 114680845
2-[4-(4-tert-butyl-3-oxopyrazin-2-yl)piperazin-1-yl]acetic acid
CID 62939430
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
1-tert-butyl-3-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazin-2-one
CID 62929202
3-[2-(bromomethyl)pyrrolidin-1-yl]-1-tert-butylpyrazin-2-one
CID 80667305

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one (CID 114680888) is 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one is CC1CN(c2nccn(C(C)(C)C)c2=O)CCC1O.
What is the InChIKey of 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one?
The InChIKey is XWQFBCJGVXVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10-9-16(7-5-11(10)18)12-13(19)17(8-6-15-12)14(2,3)4/h6,8,10-11,18H,5,7,9H2,1-4H3.
What are the key properties of 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one?
1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(4-hydroxy-3-methylpiperidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 114680888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).