N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

C17H22F3N3O3 — CID 42927395

IUPACN-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O3/c1-11(23-9-7-12(8-10-23)16(25)21-2)15(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFKVGJTOQQDDLQV-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide

N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide (PubChem CID 42927395) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
PubChem CID42927395
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H22F3N3O3/c1-11(23-9-7-12(8-10-23)16(25)21-2)15(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyFKVGJTOQQDDLQV-UHFFFAOYSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907916
2-[4-(4-hydroxybenzoyl)piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 86919392
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
(2S)-2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41445196
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(2S)-2-(4-propylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 9390700
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55829823
N-(2-hydroxyphenyl)-1-[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489471
N-(2-hydroxyphenyl)-1-[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 25489479
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide (CID 42927395) is N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide is CNC(=O)C1CCN(C(C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide?
The InChIKey is FKVGJTOQQDDLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-11(23-9-7-12(8-10-23)16(25)21-2)15(24)22-13-3-5-14(6-4-13)26-17(18,19)20/h3-6,11-12H,7-10H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide?
N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42927395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).