5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one

C20H25N3O2 — CID 122259960

IUPAC5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C20H25N3O2/c24-20(11-5-4-9-17-7-2-1-3-8-17)23-14-6-10-18(15-23)25-19-12-13-21-16-22-19/h1-3,7-8,12-13,16,18H,4-6,9-11,14-15H2
InChIKeyVCFSAEZMTXIVDA-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.26
Rot. Bonds7

About 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one

5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one (PubChem CID 122259960) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
PubChem CID122259960
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
SMILESO=C(CCCCc1ccccc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C20H25N3O2/c24-20(11-5-4-9-17-7-2-1-3-8-17)23-14-6-10-18(15-23)25-19-12-13-21-16-22-19/h1-3,7-8,12-13,16,18H,4-6,9-11,14-15H2
InChIKeyVCFSAEZMTXIVDA-UHFFFAOYSA-N
XLogP3.26
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-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

N-(2-phenylethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122161080
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-4-phenylbutan-1-one
CID 122260810
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122259749
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
1-[3-oxo-3-(3-pyrimidin-4-yloxypiperidin-1-yl)propyl]pyrimidine-2,4-dione
CID 122160256
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-phenylpropan-1-one
CID 122260320
3-phenyl-1-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]propan-1-one
CID 122267498

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one?
The IUPAC name of 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one (CID 122259960) is 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one is O=C(CCCCc1ccccc1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one?
The InChIKey is VCFSAEZMTXIVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(11-5-4-9-17-7-2-1-3-8-17)23-14-6-10-18(15-23)25-19-12-13-21-16-22-19/h1-3,7-8,12-13,16,18H,4-6,9-11,14-15H2.
What are the key properties of 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one?
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 122259960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).