1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide

C19H20FN3O4 — CID 133373091

IUPAC1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H20FN3O4/c1-27-18-12-16(17(23(25)26)11-15(18)20)22-9-7-13(8-10-22)19(24)21-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyLGVUBGHMTGDULE-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.60
Rot. Bonds5

About 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide

1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide (PubChem CID 133373091) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
PubChem CID133373091
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
SMILESCOc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C19H20FN3O4/c1-27-18-12-16(17(23(25)26)11-15(18)20)22-9-7-13(8-10-22)19(24)21-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,21,24)
InChIKeyLGVUBGHMTGDULE-UHFFFAOYSA-N
XLogP3.60
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
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

1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133359780
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133360652
(4-chlorophenyl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133360025
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17152713
(2,6-dimethylmorpholin-4-yl)-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]methanone
CID 133373817
1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-amine
CID 63598851
1-[1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidin-4-yl]-N-methylmethanamine
CID 63597808
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
2-[4-(4-fluoro-5-methoxy-2-nitrophenyl)piperazin-1-yl]benzonitrile
CID 133360839
N-ethyl-1-(4-fluoro-5-methoxy-2-nitrophenyl)piperidine-3-carboxamide
CID 133360505
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
N-(4-carbamoylphenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9431636

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide (CID 133373091) is 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide is COc1cc(N2CCC(C(=O)Nc3ccccc3)CC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is LGVUBGHMTGDULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-27-18-12-16(17(23(25)26)11-15(18)20)22-9-7-13(8-10-22)19(24)21-14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,21,24).
What are the key properties of 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide?
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 133373091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).