[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone

C26H34FN3O — CID 110148859

IUPAC[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)n1
InChIInChI=1S/C26H34FN3O/c1-20-7-5-10-23(28-20)17-21-8-6-14-30(19-21)25(31)26(12-15-29(2)16-13-26)18-22-9-3-4-11-24(22)27/h3-5,7,9-11,21H,6,8,12-19H2,1-2H3
InChIKeyHRYKSEMSTRDGIX-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.26
Rot. Bonds5

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

[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (PubChem CID 110148859) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
PubChem CID110148859
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
SMILESCc1cccc(CC2CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)n1
InChIInChI=1S/C26H34FN3O/c1-20-7-5-10-23(28-20)17-21-8-6-14-30(19-21)25(31)26(12-15-29(2)16-13-26)18-22-9-3-4-11-24(22)27/h3-5,7,9-11,21H,6,8,12-19H2,1-2H3
InChIKeyHRYKSEMSTRDGIX-UHFFFAOYSA-N
XLogP4.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
1-[4-[(2-fluorophenyl)methyl]-4-[(3S)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124985154
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 129457565
(1-methylpyrazol-4-yl)-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 125022661
3-methoxy-1-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124973172
[4-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110148862
[(6S)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 129457470
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337
1-[2-[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 124947043
1-[2-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 127246420
[(3S)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125010829

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone (CID 110148859) is [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is Cc1cccc(CC2CCCN(C(=O)C3(Cc4ccccc4F)CCN(C)CC3)C2)n1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
The InChIKey is HRYKSEMSTRDGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-20-7-5-10-23(28-20)17-21-8-6-14-30(19-21)25(31)26(12-15-29(2)16-13-26)18-22-9-3-4-11-24(22)27/h3-5,7,9-11,21H,6,8,12-19H2,1-2H3.
What are the key properties of [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone?
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone has a molecular weight of 423.58 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110148859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).