3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

C16H28N4O — CID 63852836

IUPAC3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNC(C)C1CCCN(c2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-12(2)10-20-9-7-18-15(16(20)21)19-8-5-6-14(11-19)13(3)17-4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3
InChIKeySICYDOOXIRAEBL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.72
Rot. Bonds5

About 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one

3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 63852836) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID63852836
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCNC(C)C1CCCN(c2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-12(2)10-20-9-7-18-15(16(20)21)19-8-5-6-14(11-19)13(3)17-4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3
InChIKeySICYDOOXIRAEBL-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
methyl 1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylate
CID 115538473
1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63853697
3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 63853001
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
3-[4-(2-hydroxyethoxy)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 82685587
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719
3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one (CID 63852836) is 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is CNC(C)C1CCCN(c2nccn(CC(C)C)c2=O)C1.
What is the InChIKey of 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is SICYDOOXIRAEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12(2)10-20-9-7-18-15(16(20)21)19-8-5-6-14(11-19)13(3)17-4/h7,9,12-14,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one?
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 63852836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).