3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one

C25H30N4O — CID 59293572

IUPAC3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1=O
InChIInChI=1S/C25H30N4O/c1-2-29-18-15-26-24(25(29)30)27-22-13-16-28(17-14-22)19-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,18,22-23H,2,13-14,16-17,19H2,1H3,(H,26,27)
InChIKeyQSFIPEJLVIPCED-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.97
Rot. Bonds7

About 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one

3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one (PubChem CID 59293572) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
PubChem CID59293572
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1=O
InChIInChI=1S/C25H30N4O/c1-2-29-18-15-26-24(25(29)30)27-22-13-16-28(17-14-22)19-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,18,22-23H,2,13-14,16-17,19H2,1H3,(H,26,27)
InChIKeyQSFIPEJLVIPCED-UHFFFAOYSA-N
XLogP3.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one with MolForge

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Related Compounds

3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 133453509
1-ethyl-3-[[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyrazin-2-one
CID 124515152
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
1-[2-(dimethylamino)ethyl]-3-[[1-(3-phenylprop-2-enyl)piperidin-4-yl]amino]pyrazin-2-one
CID 74376083
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62940470
2-[2-oxo-3-[[1-(2-phenoxyethyl)piperidin-4-yl]amino]pyrazin-1-yl]-N-phenylacetamide
CID 24895862

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one (CID 59293572) is 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one is CCn1ccnc(NC2CCN(CC(c3ccccc3)c3ccccc3)CC2)c1=O.
What is the InChIKey of 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
The InChIKey is QSFIPEJLVIPCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-2-29-18-15-26-24(25(29)30)27-22-13-16-28(17-14-22)19-23(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,15,18,22-23H,2,13-14,16-17,19H2,1H3,(H,26,27).
What are the key properties of 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one?
3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one has a molecular weight of 402.54 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 59293572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).