N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H16F4N2O3 — CID 110776584

IUPACN-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F4N2O3/c1-24-12-3-2-10(16)8-11(12)20-13(22)9-4-6-21(7-5-9)14(23)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,20,22)
InChIKeyFTNBEYGNKKRGCN-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.57
Rot. Bonds3

About N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110776584) has the molecular formula C15H16F4N2O3 and a molecular weight of 348.30 g/mol. Its IUPAC name is N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110776584
Molecular FormulaC15H16F4N2O3
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC NameN-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(F)cc1NC(=O)C1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H16F4N2O3/c1-24-12-3-2-10(16)8-11(12)20-13(22)9-4-6-21(7-5-9)14(23)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,20,22)
InChIKeyFTNBEYGNKKRGCN-UHFFFAOYSA-N
XLogP2.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
4-methyl-3-[[1-(2,2,2-trifluoroacetyl)piperidine-4-carbonyl]amino]benzoic acid
CID 110669217
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
tert-butyl 4-[(5-fluoro-2-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 17421893
N-(2-methoxyphenyl)-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 38644491
1-(2-amino-2-phenylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 120589254
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
N-(2,5-dimethoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968075

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110776584) is N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is COc1ccc(F)cc1NC(=O)C1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is FTNBEYGNKKRGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2O3/c1-24-12-3-2-10(16)8-11(12)20-13(22)9-4-6-21(7-5-9)14(23)15(17,18)19/h2-3,8-9H,4-7H2,1H3,(H,20,22).
What are the key properties of N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 348.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).