3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

C16H28N4O — CID 63853001

IUPAC3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCCNC(C)C1CCCN(c2nccn(C(C)C)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-5-17-13(4)14-7-6-9-19(11-14)15-16(21)20(12(2)3)10-8-18-15/h8,10,12-14,17H,5-7,9,11H2,1-4H3
InChIKeyVFFHYLSJXUVBEZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.04
Rot. Bonds5

About 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one

3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (PubChem CID 63853001) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
PubChem CID63853001
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
SMILESCCNC(C)C1CCCN(c2nccn(C(C)C)c2=O)C1
InChIInChI=1S/C16H28N4O/c1-5-17-13(4)14-7-6-9-19(11-14)15-16(21)20(12(2)3)10-8-18-15/h8,10,12-14,17H,5-7,9,11H2,1-4H3
InChIKeyVFFHYLSJXUVBEZ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 63854063
1-ethyl-3-[3-[1-(propylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63853697
1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carbaldehyde
CID 62927336
3-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63852836
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 106837230
3-[3-(bromomethyl)pyrrolidin-1-yl]-1-propan-2-ylpyrazin-2-one
CID 80679392
N-ethyl-1-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63853871
N-ethyl-1-[1-(4-methyl-2-pyridinyl)piperidin-3-yl]ethanamine
CID 63854038
3-[3-(1-aminoethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63853331
1-ethyl-3-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyrazin-2-one
CID 62929242
N-[1-[1-(1-ethylimidazol-2-yl)piperidin-3-yl]ethyl]propan-1-amine
CID 63853520
3-ethyl-1-(3-oxo-4-propan-2-ylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 63136577

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one (CID 63853001) is 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is CCNC(C)C1CCCN(c2nccn(C(C)C)c2=O)C1.
What is the InChIKey of 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VFFHYLSJXUVBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-17-13(4)14-7-6-9-19(11-14)15-16(21)20(12(2)3)10-8-18-15/h8,10,12-14,17H,5-7,9,11H2,1-4H3.
What are the key properties of 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one?
3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one has a molecular weight of 292.43 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(ethylamino)ethyl]piperidin-1-yl]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 63853001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).