(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone

C19H22FN3O2 — CID 75393245

IUPAC(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1F
InChIInChI=1S/C19H22FN3O2/c1-13-5-3-8-17(21-13)22-14-9-11-23(12-10-14)19(24)15-6-4-7-16(25-2)18(15)20/h3-8,14H,9-12H2,1-2H3,(H,21,22)
InChIKeyBAEBNBNUPVDIFI-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.25
Rot. Bonds4

About (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone

(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 75393245) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID75393245
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1F
InChIInChI=1S/C19H22FN3O2/c1-13-5-3-8-17(21-13)22-14-9-11-23(12-10-14)19(24)15-6-4-7-16(25-2)18(15)20/h3-8,14H,9-12H2,1-2H3,(H,21,22)
InChIKeyBAEBNBNUPVDIFI-UHFFFAOYSA-N
XLogP3.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 75393245) is (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone is COc1cccc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is BAEBNBNUPVDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-5-3-8-17(21-13)22-14-9-11-23(12-10-14)19(24)15-6-4-7-16(25-2)18(15)20/h3-8,14H,9-12H2,1-2H3,(H,21,22).
What are the key properties of (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone?
(2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 343.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methoxyphenyl)-[4-[(6-methyl-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 75393245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).