(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H15F4N3O3 — CID 97149101

IUPAC(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H15F4N3O3/c15-11-6-10(3-4-12(11)21(23)24)19-13(22)9-2-1-5-20(7-9)8-14(16,17)18/h3-4,6,9H,1-2,5,7-8H2,(H,19,22)/t9-/m1/s1
InChIKeyQLFGYOMUBJSGJP-SECBINFHSA-N
MW349.28 g/mol
LogP2.95
Rot. Bonds4

About (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97149101) has the molecular formula C14H15F4N3O3 and a molecular weight of 349.28 g/mol. Its IUPAC name is (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97149101
Molecular FormulaC14H15F4N3O3
Molecular Weight349.28 g/mol
Exact Mass349.10
IUPAC Name(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H15F4N3O3/c15-11-6-10(3-4-12(11)21(23)24)19-13(22)9-2-1-5-20(7-9)8-14(16,17)18/h3-4,6,9H,1-2,5,7-8H2,(H,19,22)/t9-/m1/s1
InChIKeyQLFGYOMUBJSGJP-SECBINFHSA-N
XLogP2.95
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75405098
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124627006
N-(3-fluoro-4-nitrophenyl)piperidine-1-carboxamide
CID 116657035
1-(3-methyl-4-nitrophenyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 86796880
N-(4-fluoro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134034204
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
1-[(2,4-dichlorophenyl)methyl]-N-(3,4-difluorophenyl)piperidine-3-carboxamide
CID 43925020
N-[3-(cyclopentanecarbonylamino)-4-nitrophenyl]cyclopentanecarboxamide
CID 4114738
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
(3S)-1-[(2,4-dichlorophenyl)methyl]-N-(3-nitrophenyl)piperidine-3-carboxamide
CID 93491876
N-[2-(4-chlorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71937760

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97149101) is (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is QLFGYOMUBJSGJP-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F4N3O3/c15-11-6-10(3-4-12(11)21(23)24)19-13(22)9-2-1-5-20(7-9)8-14(16,17)18/h3-4,6,9H,1-2,5,7-8H2,(H,19,22)/t9-/m1/s1.
What are the key properties of (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 349.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97149101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).