3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one

C20H28N4O2 — CID 128976328

IUPAC3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCOc1cccc(CNC2CCN(c3nccn(CC)c3=O)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-3-23-13-10-21-19(20(23)25)24-11-8-17(9-12-24)22-15-16-6-5-7-18(14-16)26-4-2/h5-7,10,13-14,17,22H,3-4,8-9,11-12,15H2,1-2H3
InChIKeyVAGBNLOAVAUBQM-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.42
Rot. Bonds7

About 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one

3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one (PubChem CID 128976328) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
PubChem CID128976328
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one
SMILESCCOc1cccc(CNC2CCN(c3nccn(CC)c3=O)CC2)c1
InChIInChI=1S/C20H28N4O2/c1-3-23-13-10-21-19(20(23)25)24-11-8-17(9-12-24)22-15-16-6-5-7-18(14-16)26-4-2/h5-7,10,13-14,17,22H,3-4,8-9,11-12,15H2,1-2H3
InChIKeyVAGBNLOAVAUBQM-UHFFFAOYSA-N
XLogP2.42
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[4-[(1-methylpyrrol-3-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976255
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
3-[4-[(6-ethoxypyrimidin-4-yl)amino]piperidin-1-yl]-1-ethylpyrazin-2-one
CID 75509073
1-ethyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]pyrazin-2-one
CID 128976284
N-[(3-ethoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 60873517
N-[[3-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 61493252
N-[[3-(1-ethylimidazol-2-yl)phenyl]methyl]cyclopropanamine
CID 63975192
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-[(3-ethoxyphenyl)methylamino]-1-propylpyrazin-2-one
CID 62940904
N-[(3-ethoxyphenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 60873537
1-ethyl-3-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]pyrazin-2-one
CID 146125355

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one (CID 128976328) is 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one is CCOc1cccc(CNC2CCN(c3nccn(CC)c3=O)CC2)c1.
What is the InChIKey of 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one?
The InChIKey is VAGBNLOAVAUBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-23-13-10-21-19(20(23)25)24-11-8-17(9-12-24)22-15-16-6-5-7-18(14-16)26-4-2/h5-7,10,13-14,17,22H,3-4,8-9,11-12,15H2,1-2H3.
What are the key properties of 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one?
3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-ethoxyphenyl)methylamino]piperidin-1-yl]-1-ethylpyrazin-2-one is sourced from PubChem (CID 128976328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).