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

C17H17N3O4 — CID 122255746

IUPAC(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(15-5-1-2-6-16(15)20(22)23)19-11-3-4-14(12-19)24-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2
InChIKeyVIRZVXSMFYXGTJ-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.67
Rot. Bonds4

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

(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122255746) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
PubChem CID122255746
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccccc1[N+](=O)[O-])N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(15-5-1-2-6-16(15)20(22)23)19-11-3-4-14(12-19)24-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2
InChIKeyVIRZVXSMFYXGTJ-UHFFFAOYSA-N
XLogP2.67
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.67
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'}

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Related Compounds

4-[1-(2-nitrobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256727
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334
(3-bromopiperidin-1-yl)-(2-nitrophenyl)methanone
CID 80660570
(2,4-dichlorophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255743
2-(4-nitrophenyl)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255781
naphthalen-1-yl-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124878377
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
2-benzylsulfanyl-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255775
(3-pyridin-4-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122255912
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(2-nitrophenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90559010

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone (CID 122255746) is (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is O=C(c1ccccc1[N+](=O)[O-])N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is VIRZVXSMFYXGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-17(15-5-1-2-6-16(15)20(22)23)19-11-3-4-14(12-19)24-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2.
What are the key properties of (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone?
(2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 327.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122255746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).