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

C19H20FN3O3 — CID 58073389

IUPACmethyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H20FN3O3/c1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14/h2-8H,9-13H2,1H3
InChIKeyRJANCMBBGWNXBV-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.97
Rot. Bonds4

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

methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate (PubChem CID 58073389) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate
PubChem CID58073389
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Namemethyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C19H20FN3O3/c1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14/h2-8H,9-13H2,1H3
InChIKeyRJANCMBBGWNXBV-UHFFFAOYSA-N
XLogP1.97
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
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-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate (CID 58073389) is methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate is COC(=O)c1cccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
The InChIKey is RJANCMBBGWNXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-26-19(25)17-4-2-3-16(21-17)18(24)23-11-9-22(10-12-23)13-14-5-7-15(20)8-6-14/h2-8H,9-13H2,1H3.
What are the key properties of methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate?
methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate has a molecular weight of 357.39 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]pyridine-2-carboxylate is sourced from PubChem (CID 58073389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).