3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one

C14H24N4O — CID 114504666

IUPAC3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(C)CCC1Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H24N4O/c1-10(2)18-8-6-15-13(14(18)19)16-12-5-7-17(4)9-11(12)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyGOZVUGOYNYEXPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.58
Rot. Bonds3

About 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one

3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 114504666) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID114504666
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(C)CCC1Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H24N4O/c1-10(2)18-8-6-15-13(14(18)19)16-12-5-7-17(4)9-11(12)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,15,16)
InChIKeyGOZVUGOYNYEXPI-UHFFFAOYSA-N
XLogP1.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorocyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
CID 65028826
3-(cycloheptylamino)-1-propan-2-ylpyrazin-2-one
CID 62939319
3-[(1,3-dimethylpiperidin-4-yl)amino]pyrazine-2-carbonitrile
CID 115605254
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 80721082
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62939854
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128
N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 115770250
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-1-propan-2-ylpyrazin-2-one
CID 114630076
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
3-[2-(cyclopropylamino)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 62928664
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62938656

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one (CID 114504666) is 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one is CC1CN(C)CCC1Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is GOZVUGOYNYEXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)18-8-6-15-13(14(18)19)16-12-5-7-17(4)9-11(12)3/h6,8,10-12H,5,7,9H2,1-4H3,(H,15,16).
What are the key properties of 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one?
3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpiperidin-4-yl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 114504666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).