N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

C15H18F4N2O4 — CID 167828177

IUPACN-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)c(NC(=O)C2CCCCN2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17FN2O2.C2HF3O2/c1-18-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11;3-2(4,5)1(6)7/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);(H,6,7)
InChIKeyPPHDGFHDZCRQIW-UHFFFAOYSA-N
MW366.31 g/mol
LogP2.55
Rot. Bonds3

About N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid

N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167828177) has the molecular formula C15H18F4N2O4 and a molecular weight of 366.31 g/mol. Its IUPAC name is N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167828177
Molecular FormulaC15H18F4N2O4
Molecular Weight366.31 g/mol
Exact Mass366.12
IUPAC NameN-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1ccc(F)c(NC(=O)C2CCCCN2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H17FN2O2.C2HF3O2/c1-18-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11;3-2(4,5)1(6)7/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);(H,6,7)
InChIKeyPPHDGFHDZCRQIW-UHFFFAOYSA-N
XLogP2.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
5-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914464
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
(2S)-N-[2-fluoro-5-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 103808490
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
N-(2-fluoro-5-methoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119788904
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-(2,5-difluoro-4-methylphenyl)piperidine-2-carboxamide
CID 103586007

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 167828177) is N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is COc1ccc(F)c(NC(=O)C2CCCCN2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PPHDGFHDZCRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2.C2HF3O2/c1-18-9-5-6-10(14)12(8-9)16-13(17)11-4-2-3-7-15-11;3-2(4,5)1(6)7/h5-6,8,11,15H,2-4,7H2,1H3,(H,16,17);(H,6,7).
What are the key properties of N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid?
N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 366.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methoxyphenyl)piperidine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167828177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).