3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one

C15H26N4O — CID 79719529

IUPAC3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(CC1CCNCC1)c1nccn(C(C)C)c1=O
InChIInChI=1S/C15H26N4O/c1-4-18(11-13-5-7-16-8-6-13)14-15(20)19(12(2)3)10-9-17-14/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeyDRLGDSWTFVJJQR-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.65
Rot. Bonds5

About 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one

3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 79719529) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
PubChem CID79719529
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(CC1CCNCC1)c1nccn(C(C)C)c1=O
InChIInChI=1S/C15H26N4O/c1-4-18(11-13-5-7-16-8-6-13)14-15(20)19(12(2)3)10-9-17-14/h9-10,12-13,16H,4-8,11H2,1-3H3
InChIKeyDRLGDSWTFVJJQR-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79719452
1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79704882
3-[piperidin-3-ylmethyl(propyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106644195
N-ethyl-N-(piperidin-4-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732733
3-[(4-aminocyclohexyl)-ethylamino]-1-propan-2-ylpyrazin-2-one
CID 79112198
1-cyclopropyl-3-[ethyl(piperidin-3-ylmethyl)amino]pyrazin-2-one
CID 106643625
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211
3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one
CID 106621438
N-(piperidin-4-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 115033628
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717441
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
2-[ethyl(piperidin-4-ylmethyl)amino]-3-nitropyridine-4-carbonitrile
CID 82795332

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one (CID 79719529) is 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one is CCN(CC1CCNCC1)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is DRLGDSWTFVJJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-18(11-13-5-7-16-8-6-13)14-15(20)19(12(2)3)10-9-17-14/h9-10,12-13,16H,4-8,11H2,1-3H3.
What are the key properties of 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one?
3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(piperidin-4-ylmethyl)amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 79719529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).