(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone

C22H24FN3O2 — CID 166264806

IUPAC(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)CC1CCCN(C(=O)c2coc3c(F)cccc23)C1
InChIInChI=1S/C22H24FN3O2/c1-25(12-16-5-3-9-24-11-16)13-17-6-4-10-26(14-17)22(27)19-15-28-21-18(19)7-2-8-20(21)23/h2-3,5,7-9,11,15,17H,4,6,10,12-14H2,1H3
InChIKeyWUVVEBLBKGPIFX-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.95
Rot. Bonds5

About (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone

(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 166264806) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone
PubChem CID166264806
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone
SMILESCN(Cc1cccnc1)CC1CCCN(C(=O)c2coc3c(F)cccc23)C1
InChIInChI=1S/C22H24FN3O2/c1-25(12-16-5-3-9-24-11-16)13-17-6-4-10-26(14-17)22(27)19-15-28-21-18(19)7-2-8-20(21)23/h2-3,5,7-9,11,15,17H,4,6,10,12-14H2,1H3
InChIKeyWUVVEBLBKGPIFX-UHFFFAOYSA-N
XLogP3.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 52527257
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 128997703
(3-methyl-1,2-oxazol-5-yl)-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129400971
2-(3-fluorophenyl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129401045
2-(furan-3-yl)-1-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 129400998
(3,5-dimethylfuran-2-yl)-[(3R)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 129401079
(3,4-dimethylphenyl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]methanone
CID 128970177
4-[(3S)-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carbonyl]benzonitrile
CID 129400968
1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 128997041
1-[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70770060
3-methoxy-1-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 128997268
N-cyclopent-3-en-1-yl-3-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxamide
CID 128997042

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone (CID 166264806) is (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone is CN(Cc1cccnc1)CC1CCCN(C(=O)c2coc3c(F)cccc23)C1.
What is the InChIKey of (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is WUVVEBLBKGPIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-25(12-16-5-3-9-24-11-16)13-17-6-4-10-26(14-17)22(27)19-15-28-21-18(19)7-2-8-20(21)23/h2-3,5,7-9,11,15,17H,4,6,10,12-14H2,1H3.
What are the key properties of (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone?
(7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 381.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-3-yl)-[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166264806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).