3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one

C15H26N4O — CID 107164468

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2(C)CCN(C)CC2)c1=O
InChIInChI=1S/C15H26N4O/c1-4-8-19-11-7-16-13(14(19)20)17-12-15(2)5-9-18(3)10-6-15/h7,11H,4-6,8-10,12H2,1-3H3,(H,16,17)
InChIKeyLJVDGAXDEDIGKI-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.80
Rot. Bonds5

About 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one

3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one (PubChem CID 107164468) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one
PubChem CID107164468
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2(C)CCN(C)CC2)c1=O
InChIInChI=1S/C15H26N4O/c1-4-8-19-11-7-16-13(14(19)20)17-12-15(2)5-9-18(3)10-6-15/h7,11H,4-6,8-10,12H2,1-3H3,(H,16,17)
InChIKeyLJVDGAXDEDIGKI-UHFFFAOYSA-N
XLogP1.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
CID 63830300
N-[(1-methylcyclopentyl)methyl]-1-propylimidazol-2-amine
CID 106572272
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438670
3-(3-chloropropylamino)-1-propylpyrazin-2-one
CID 65030283
3-[(1,4-dimethylpiperidin-4-yl)methylamino]pyrazine-2-carbonitrile
CID 113362481
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
1-propyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]pyrazin-2-one
CID 103967207
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
3-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1-propylpyrazin-2-one
CID 114125963
3-[(2,3-dihydroxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
CID 66168864
3-[[1-(chloromethyl)cyclohexyl]amino]-1-propylpyrazin-2-one
CID 65028800
2-[(3-oxo-4-propylpyrazin-2-yl)amino]ethylurea
CID 83113430

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one (CID 107164468) is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC2(C)CCN(C)CC2)c1=O.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is LJVDGAXDEDIGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-19-11-7-16-13(14(19)20)17-12-15(2)5-9-18(3)10-6-15/h7,11H,4-6,8-10,12H2,1-3H3,(H,16,17).
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one?
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 107164468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).