N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

C15H18F3N3O3 — CID 46801609

IUPACN-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c1-10(20-8-4-5-11(9-20)15(16,17)18)14(22)19-12-6-2-3-7-13(12)21(23)24/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyJZBVENIYGGMPJT-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.20
Rot. Bonds4

About N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide

N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 46801609) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID46801609
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H18F3N3O3/c1-10(20-8-4-5-11(9-20)15(16,17)18)14(22)19-12-6-2-3-7-13(12)21(23)24/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,19,22)
InChIKeyJZBVENIYGGMPJT-UHFFFAOYSA-N
XLogP3.20
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.20
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

2-[3-(methylamino)piperidin-1-yl]-N-(2-nitrophenyl)propanamide
CID 119919331
(2R)-N-(2-nitrophenyl)-2-[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 100858045
N-(2-nitrophenyl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propanamide
CID 46667378
N-(2,5-difluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 46630533
(2R)-2-(4-methylpiperazin-1-yl)-N-(2-nitrophenyl)propanamide
CID 8896328
(2R)-N-[(1S)-1-phenylethyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 27098394
N-(4-acetylphenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 17411208
(2S)-N-propan-2-yl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836067
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 51167971
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-nitrophenyl)propanamide
CID 55410920
N-(2-nitrophenyl)-2-[4-(oxolan-3-yl)piperazin-1-yl]propanamide
CID 71846089
(2R)-N-(2-nitrophenyl)-2-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]propanamide
CID 97067721

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide (CID 46801609) is N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is JZBVENIYGGMPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-10(20-8-4-5-11(9-20)15(16,17)18)14(22)19-12-6-2-3-7-13(12)21(23)24/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,19,22).
What are the key properties of N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide?
N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 345.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 46801609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).