N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

C25H24F4N2O4S — CID 44526137

IUPACN-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23FN2O2S.C2HF3O2/c24-18-5-3-17(4-6-18)16-26-13-11-21(12-14-26)28-20-9-7-19(8-10-20)25-23(27)22-2-1-15-29-22;3-2(4,5)1(6)7/h1-10,15,21H,11-14,16H2,(H,25,27);(H,6,7)
InChIKeyJMDRVDIETNXFSJ-UHFFFAOYSA-N
MW524.54 g/mol
LogP5.82
Rot. Bonds6

About N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid

N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44526137) has the molecular formula C25H24F4N2O4S and a molecular weight of 524.54 g/mol. Its IUPAC name is N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44526137
Molecular FormulaC25H24F4N2O4S
Molecular Weight524.54 g/mol
Exact Mass524.14
IUPAC NameN-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccs1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23FN2O2S.C2HF3O2/c24-18-5-3-17(4-6-18)16-26-13-11-21(12-14-26)28-20-9-7-19(8-10-20)25-23(27)22-2-1-15-29-22;3-2(4,5)1(6)7/h1-10,15,21H,11-14,16H2,(H,25,27);(H,6,7)
InChIKeyJMDRVDIETNXFSJ-UHFFFAOYSA-N
XLogP5.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.54
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 2469877
8-[4-(3,6-Dioxo-5-{4-[(thiophene-2-carbonyl)-amino]-benzylidene}-piperazin-2-ylidenemethyl)-phenoxy]-octanoic acid
CID 44266596
N-(4-phenylmethoxyphenyl)thiophene-2-carboxamide
CID 676067
N-[4-[2-(4-fluorophenyl)-2-oxoethoxy]phenyl]thiophene-2-carboxamide
CID 1218554
N-[4-[3,5-bis(trifluoromethyl)phenoxy]phenyl]thiophene-2-carboxamide
CID 2741937
8-[4-[(Z)-[(5Z)-3,6-dioxo-5-[[4-(thiophene-2-carbonylamino)phenyl]methylidene]piperazin-2-ylidene]methyl]phenoxy]octanoic acid
CID 9829598
N-[3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 44526129
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526135
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526141
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526145
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526147
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526161

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44526137) is N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc(OC2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccs1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JMDRVDIETNXFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S.C2HF3O2/c24-18-5-3-17(4-6-18)16-26-13-11-21(12-14-26)28-20-9-7-19(8-10-20)25-23(27)22-2-1-15-29-22;3-2(4,5)1(6)7/h1-10,15,21H,11-14,16H2,(H,25,27);(H,6,7).
What are the key properties of N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 524.54 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]thiophene-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44526137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).