1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide

C19H20FN3O4 — CID 17152713

IUPAC1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O4/c1-27-18-12-14(23(25)26)6-7-16(18)21-19(24)13-8-10-22(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyZJNACLIOLNUHDE-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.60
Rot. Bonds5

About 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide

1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide (PubChem CID 17152713) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
PubChem CID17152713
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H20FN3O4/c1-27-18-12-14(23(25)26)6-7-16(18)21-19(24)13-8-10-22(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,21,24)
InChIKeyZJNACLIOLNUHDE-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-(2-fluorophenyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17152653
N-(2-methoxy-5-nitrophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152327
1-(3-fluorobenzoyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide
CID 17223700
1-(4-fluoro-5-methoxy-2-nitrophenyl)-N-phenylpiperidine-4-carboxamide
CID 133373091
N,1-bis(2-fluorophenyl)piperidine-4-carboxamide
CID 17152573
2-fluoro-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2885825
N-(2-methoxy-4-nitrophenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 16830547
1-(2-nitrophenyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 26358381
N-(2-ethylphenyl)-1-(2-fluorophenyl)piperidine-4-carboxamide
CID 17152635
N-(2-methoxy-4-nitrophenyl)pyrrolidine-3-carboxamide
CID 63007363
N-(2-methoxy-4-nitrophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687689
tert-butyl 4-[(2-fluoro-4-nitrophenyl)carbamoyl]piperidine-1-carboxylate
CID 164719670

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide (CID 17152713) is 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide is COc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide?
The InChIKey is ZJNACLIOLNUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-27-18-12-14(23(25)26)6-7-16(18)21-19(24)13-8-10-22(11-9-13)17-5-3-2-4-15(17)20/h2-7,12-13H,8-11H2,1H3,(H,21,24).
What are the key properties of 1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-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-(2-fluorophenyl)-N-(2-methoxy-4-nitrophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 17152713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).