[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone

C25H26FN3O — CID 110255959

IUPAC[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C25H26FN3O/c1-28(2)22-8-3-6-19(16-22)25(30)29-15-5-7-20(17-29)24-10-4-9-23(27-24)18-11-13-21(26)14-12-18/h3-4,6,8-14,16,20H,5,7,15,17H2,1-2H3
InChIKeyUVMSFVCPPANWKQ-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.97
Rot. Bonds4

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

[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 110255959) has the molecular formula C25H26FN3O and a molecular weight of 403.50 g/mol. Its IUPAC name is [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID110255959
Molecular FormulaC25H26FN3O
Molecular Weight403.50 g/mol
Exact Mass403.21
IUPAC Name[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C25H26FN3O/c1-28(2)22-8-3-6-19(16-22)25(30)29-15-5-7-20(17-29)24-10-4-9-23(27-24)18-11-13-21(26)14-12-18/h3-4,6,8-14,16,20H,5,7,15,17H2,1-2H3
InChIKeyUVMSFVCPPANWKQ-UHFFFAOYSA-N
XLogP4.97
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
[3-(dimethylamino)phenyl]-[(3R)-3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124966949
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]methanone
CID 95816737
2-(dimethylamino)-1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 124946413
[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 125017299
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808958
1-[(3S)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-2-methoxyethanone
CID 95809586
[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 110075948
[(3R)-3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 129453909
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone (CID 110255959) is [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone is CN(C)c1cccc(C(=O)N2CCCC(c3cccc(-c4ccc(F)cc4)n3)C2)c1.
What is the InChIKey of [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is UVMSFVCPPANWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O/c1-28(2)22-8-3-6-19(16-22)25(30)29-15-5-7-20(17-29)24-10-4-9-23(27-24)18-11-13-21(26)14-12-18/h3-4,6,8-14,16,20H,5,7,15,17H2,1-2H3.
What are the key properties of [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone?
[3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 403.50 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)phenyl]-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 110255959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).