ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate

C20H22FN3O4 — CID 172672823

IUPACethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H22FN3O4/c1-3-28-20(27)23-12-10-22(11-13-23)18(25)17-14(2)8-9-24(19(17)26)16-6-4-15(21)5-7-16/h4-9H,3,10-13H2,1-2H3
InChIKeyRDGCPHLWDWGMHJ-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.20
Rot. Bonds3

About ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate (PubChem CID 172672823) has the molecular formula C20H22FN3O4 and a molecular weight of 387.41 g/mol. Its IUPAC name is ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
PubChem CID172672823
Molecular FormulaC20H22FN3O4
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Nameethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C20H22FN3O4/c1-3-28-20(27)23-12-10-22(11-13-23)18(25)17-14(2)8-9-24(19(17)26)16-6-4-15(21)5-7-16/h4-9H,3,10-13H2,1-2H3
InChIKeyRDGCPHLWDWGMHJ-UHFFFAOYSA-N
XLogP2.20
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
8a-ethyl-7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172655333
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
3-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172672652
1-(4-fluorophenyl)-4-methyl-3-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]pyridin-2-one
CID 172666863
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
CID 172912085
7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645866
ethyl 4-[1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazine-1-carboxylate
CID 46277002
ethyl 4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798379
3-[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172657136
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate (CID 172672823) is ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
The InChIKey is RDGCPHLWDWGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O4/c1-3-28-20(27)23-12-10-22(11-13-23)18(25)17-14(2)8-9-24(19(17)26)16-6-4-15(21)5-7-16/h4-9H,3,10-13H2,1-2H3.
What are the key properties of ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 172672823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).