2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

C18H19N3O4 — CID 122255781

IUPAC2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C18H19N3O4/c22-18(12-14-3-5-15(6-4-14)21(23)24)20-11-1-2-17(13-20)25-16-7-9-19-10-8-16/h3-10,17H,1-2,11-13H2
InChIKeySILCJLDVRBNUFU-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.60
Rot. Bonds5

About 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone

2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122255781) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122255781
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C18H19N3O4/c22-18(12-14-3-5-15(6-4-14)21(23)24)20-11-1-2-17(13-20)25-16-7-9-19-10-8-16/h3-10,17H,1-2,11-13H2
InChIKeySILCJLDVRBNUFU-UHFFFAOYSA-N
XLogP2.60
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone 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

2-(4-propan-2-ylsulfonylphenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 119100727
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(4-nitrophenyl)ethanone
CID 107224880
3-[1-[2-(4-nitrophenyl)acetyl]pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636574
2-(4-nitrophenyl)-1-(4-pyridin-3-yloxypiperidin-1-yl)ethanone
CID 90566015
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255746
2-(2,4-difluorophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255916
1-(3-pyridin-4-yloxypiperidin-1-yl)-2-pyrrol-1-ylethanone
CID 122255870
2-(4-nitrophenyl)-1-piperidin-1-ylethanone
CID 3594276
3-cyclohexyl-1-(3-pyridin-4-yloxypiperidin-1-yl)propan-1-one
CID 122255705
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
2-phenylmethoxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255928
1-(3-hydroxypyrrolidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 62916916

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 122255781) is 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is SILCJLDVRBNUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c22-18(12-14-3-5-15(6-4-14)21(23)24)20-11-1-2-17(13-20)25-16-7-9-19-10-8-16/h3-10,17H,1-2,11-13H2.
What are the key properties of 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 341.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122255781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).