methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate

C21H24FN3O3 — CID 23723812

IUPACmethyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)nc1
InChIInChI=1S/C21H24FN3O3/c1-24(20(26)19-10-9-15(12-23-19)21(27)28-2)17-7-5-11-25(14-17)13-16-6-3-4-8-18(16)22/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyDKQGIKZIXMFYGR-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.74
Rot. Bonds5

About methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate

methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate (PubChem CID 23723812) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate
PubChem CID23723812
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Namemethyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)nc1
InChIInChI=1S/C21H24FN3O3/c1-24(20(26)19-10-9-15(12-23-19)21(27)28-2)17-7-5-11-25(14-17)13-16-6-3-4-8-18(16)22/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyDKQGIKZIXMFYGR-UHFFFAOYSA-N
XLogP2.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate (CID 23723812) is methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)nc1.
What is the InChIKey of methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate?
The InChIKey is DKQGIKZIXMFYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-24(20(26)19-10-9-15(12-23-19)21(27)28-2)17-7-5-11-25(14-17)13-16-6-3-4-8-18(16)22/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3.
What are the key properties of methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate?
methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylcarbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 23723812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).