methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate

C18H18FN3O3 — CID 46394503

IUPACmethyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H18FN3O3/c1-25-18(24)15-7-4-6-14(20-15)17(23)22-11-9-21(10-12-22)16-8-3-2-5-13(16)19/h2-8H,9-12H2,1H3
InChIKeyNOMGVOYUFVDWDG-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.97
Rot. Bonds3

About methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate

methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 46394503) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
PubChem CID46394503
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Namemethyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C18H18FN3O3/c1-25-18(24)15-7-4-6-14(20-15)17(23)22-11-9-21(10-12-22)16-8-3-2-5-13(16)19/h2-8H,9-12H2,1H3
InChIKeyNOMGVOYUFVDWDG-UHFFFAOYSA-N
XLogP1.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate (CID 46394503) is methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is NOMGVOYUFVDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-25-18(24)15-7-4-6-14(20-15)17(23)22-11-9-21(10-12-22)16-8-3-2-5-13(16)19/h2-8H,9-12H2,1H3.
What are the key properties of methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate?
methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 343.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 46394503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).