N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide

C15H18F3N3O3 — CID 133341455

IUPACN-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O3/c1-19-14(22)8-10-4-6-20(7-5-10)11-2-3-13(21(23)24)12(9-11)15(16,17)18/h2-3,9-10H,4-8H2,1H3,(H,19,22)
InChIKeyVAEXQPHVVSWNPB-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.97
Rot. Bonds4

About N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide

N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 133341455) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
PubChem CID133341455
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC NameN-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H18F3N3O3/c1-19-14(22)8-10-4-6-20(7-5-10)11-2-3-13(21(23)24)12(9-11)15(16,17)18/h2-3,9-10H,4-8H2,1H3,(H,19,22)
InChIKeyVAEXQPHVVSWNPB-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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

5-[4-(4-tert-butylphenyl)piperazin-1-yl]-1-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]pentan-2-one
CID 58576531
N-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-3-yl]butanamide
CID 133354781
[1-(3-methyl-4-nitrophenyl)piperidin-4-yl]methanol
CID 47281098
N-methyl-1-(4-methylphenyl)-N-[[1-[4-nitro-3-(trifluoromethyl)anilino]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 162556967
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]butanamide;methane
CID 157451214
1-[5-[4-(hydroxymethyl)piperidin-1-yl]-2-nitrophenyl]ethanone
CID 104613497
1-[1-[4-nitro-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]-2,5-dihydropyrrole
CID 133341033
3-[4-nitro-3-(trifluoromethyl)phenyl]-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane
CID 133341418
1-[4-nitro-3-(trifluoromethyl)phenyl]-4-(triazol-1-yl)piperidine
CID 133455677
(1-methylimidazol-2-yl)-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]methanol
CID 133395983
(2S,6R)-2,6-dimethyl-4-[4-nitro-3-(trifluoromethyl)phenyl]morpholine
CID 133328197
N-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]-4-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butanethioamide
CID 88872994

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide (CID 133341455) is N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide is CNC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is VAEXQPHVVSWNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-19-14(22)8-10-4-6-20(7-5-10)11-2-3-13(21(23)24)12(9-11)15(16,17)18/h2-3,9-10H,4-8H2,1H3,(H,19,22).
What are the key properties of N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide?
N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 345.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[4-nitro-3-(trifluoromethyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 133341455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).