1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

C26H26N2O3 — CID 42094086

IUPAC1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C26H26N2O3/c29-25(13-8-20-14-16-27-17-15-20)28-18-4-5-22(19-28)26(30)21-9-11-24(12-10-21)31-23-6-2-1-3-7-23/h1-3,6-7,9-12,14-17,22H,4-5,8,13,18-19H2/t22-/m1/s1
InChIKeyIBEZGNSVEUPEIS-JOCHJYFZSA-N
MW414.51 g/mol
LogP4.93
Rot. Bonds7

About 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 42094086) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID42094086
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESO=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1
InChIInChI=1S/C26H26N2O3/c29-25(13-8-20-14-16-27-17-15-20)28-18-4-5-22(19-28)26(30)21-9-11-24(12-10-21)31-23-6-2-1-3-7-23/h1-3,6-7,9-12,14-17,22H,4-5,8,13,18-19H2/t22-/m1/s1
InChIKeyIBEZGNSVEUPEIS-JOCHJYFZSA-N
XLogP4.93
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one 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-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 45218026
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
3-[2-oxo-2-[3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 45251428
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 42094086) is 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1.
What is the InChIKey of 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is IBEZGNSVEUPEIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-25(13-8-20-14-16-27-17-15-20)28-18-4-5-22(19-28)26(30)21-9-11-24(12-10-21)31-23-6-2-1-3-7-23/h1-3,6-7,9-12,14-17,22H,4-5,8,13,18-19H2/t22-/m1/s1.
What are the key properties of 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 42094086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).