(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

C24H25N3O2 — CID 86826233

IUPAC(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cccnc2)c1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(27-14-11-22(12-15-27)26-21-8-2-1-3-9-21)20-7-4-10-23(16-20)29-18-19-6-5-13-25-17-19/h1-10,13,16-17,22,26H,11-12,14-15,18H2
InChIKeyXBZJEOYVNMDELX-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.38
Rot. Bonds6

About (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone

(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (PubChem CID 86826233) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
PubChem CID86826233
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
SMILESO=C(c1cccc(OCc2cccnc2)c1)N1CCC(Nc2ccccc2)CC1
InChIInChI=1S/C24H25N3O2/c28-24(27-14-11-22(12-15-27)26-21-8-2-1-3-9-21)20-7-4-10-23(16-20)29-18-19-6-5-13-25-17-19/h1-10,13,16-17,22,26H,11-12,14-15,18H2
InChIKeyXBZJEOYVNMDELX-UHFFFAOYSA-N
XLogP4.38
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]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

1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
CID 55777615
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55774411
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886

Frequently Asked Questions

What is the IUPAC name of (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The IUPAC name of (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone (CID 86826233) is (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone.
What is the SMILES notation for (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The canonical SMILES for (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is O=C(c1cccc(OCc2cccnc2)c1)N1CCC(Nc2ccccc2)CC1.
What is the InChIKey of (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
The InChIKey is XBZJEOYVNMDELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c28-24(27-14-11-22(12-15-27)26-21-8-2-1-3-9-21)20-7-4-10-23(16-20)29-18-19-6-5-13-25-17-19/h1-10,13,16-17,22,26H,11-12,14-15,18H2.
What are the key properties of (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone?
(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone has a molecular weight of 387.48 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 86826233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).