[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

C23H22FN3O — CID 95809453

IUPAC[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1
InChIInChI=1S/C23H22FN3O/c24-21-8-2-1-5-18(21)15-20-7-3-9-22(26-20)17-10-13-27(14-11-17)23(28)19-6-4-12-25-16-19/h1-9,12,16-17H,10-11,13-15H2
InChIKeyDFJWRALVWPCZKZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.23
Rot. Bonds4

About [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone

[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 95809453) has the molecular formula C23H22FN3O and a molecular weight of 375.45 g/mol. Its IUPAC name is [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID95809453
Molecular FormulaC23H22FN3O
Molecular Weight375.45 g/mol
Exact Mass375.17
IUPAC Name[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1
InChIInChI=1S/C23H22FN3O/c24-21-8-2-1-5-18(21)15-20-7-3-9-22(26-20)17-10-13-27(14-11-17)23(28)19-6-4-12-25-16-19/h1-9,12,16-17H,10-11,13-15H2
InChIKeyDFJWRALVWPCZKZ-UHFFFAOYSA-N
XLogP4.23
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 95809453) is [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1.
What is the InChIKey of [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is DFJWRALVWPCZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O/c24-21-8-2-1-5-18(21)15-20-7-3-9-22(26-20)17-10-13-27(14-11-17)23(28)19-6-4-12-25-16-19/h1-9,12,16-17H,10-11,13-15H2.
What are the key properties of [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone?
[4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 375.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 95809453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).