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

C19H21ClFN3O4 — CID 172912085

IUPACmethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CCN1.Cl
InChIInChI=1S/C19H20FN3O4.ClH/c1-12-7-9-23(14-5-3-13(20)4-6-14)18(25)16(12)17(24)22-10-8-21-15(11-22)19(26)27-2;/h3-7,9,15,21H,8,10-11H2,1-2H3;1H
InChIKeyDRZSWWXFISTTAT-UHFFFAOYSA-N
MW409.85 g/mol
LogP1.29
Rot. Bonds3

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

methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride (PubChem CID 172912085) has the molecular formula C19H21ClFN3O4 and a molecular weight of 409.85 g/mol. Its IUPAC name is methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
PubChem CID172912085
Molecular FormulaC19H21ClFN3O4
Molecular Weight409.85 g/mol
Exact Mass409.12
IUPAC Namemethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CCN1.Cl
InChIInChI=1S/C19H20FN3O4.ClH/c1-12-7-9-23(14-5-3-13(20)4-6-14)18(25)16(12)17(24)22-10-8-21-15(11-22)19(26)27-2;/h3-7,9,15,21H,8,10-11H2,1-2H3;1H
InChIKeyDRZSWWXFISTTAT-UHFFFAOYSA-N
XLogP1.29
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.85
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172673919
ethyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 172672823
3-[3-(2,3-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-(4-fluorophenyl)-4-methylpyridin-2-one
CID 172666521
1-(4-fluorophenyl)-3-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172659354
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-(4-methoxybenzoyl)piperazine-2-carboxylate
CID 78454952
7-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175645866
methyl 2-[4-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]phenyl]acetate
CID 175641008
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
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
methyl 1-[1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonyl]azetidine-3-carboxylate
CID 172656047

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride (CID 172912085) is methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride is COC(=O)C1CN(C(=O)c2c(C)ccn(-c3ccc(F)cc3)c2=O)CCN1.Cl.
What is the InChIKey of methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride?
The InChIKey is DRZSWWXFISTTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4.ClH/c1-12-7-9-23(14-5-3-13(20)4-6-14)18(25)16(12)17(24)22-10-8-21-15(11-22)19(26)27-2;/h3-7,9,15,21H,8,10-11H2,1-2H3;1H.
What are the key properties of methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride?
methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride has a molecular weight of 409.85 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]piperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 172912085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).