3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide

C26H26F3N3O3S — CID 171684363

IUPAC3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(C2CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C26H26F3N3O3S/c1-35-22-12-15-36-24(22)25(34)31-21-5-2-17(3-6-21)18-10-13-32(14-11-18)23(33)9-8-20-7-4-19(16-30-20)26(27,28)29/h2-7,12,15-16,18H,8-11,13-14H2,1H3,(H,31,34)
InChIKeyNCPTVWYNQYETSE-UHFFFAOYSA-N
MW517.57 g/mol
LogP5.76
Rot. Bonds7

About 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide

3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide (PubChem CID 171684363) has the molecular formula C26H26F3N3O3S and a molecular weight of 517.57 g/mol. Its IUPAC name is 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide
PubChem CID171684363
Molecular FormulaC26H26F3N3O3S
Molecular Weight517.57 g/mol
Exact Mass517.16
IUPAC Name3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(C2CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)CC2)cc1
InChIInChI=1S/C26H26F3N3O3S/c1-35-22-12-15-36-24(22)25(34)31-21-5-2-17(3-6-21)18-10-13-32(14-11-18)23(33)9-8-20-7-4-19(16-30-20)26(27,28)29/h2-7,12,15-16,18H,8-11,13-14H2,1H3,(H,31,34)
InChIKeyNCPTVWYNQYETSE-UHFFFAOYSA-N
XLogP5.76
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.57
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[1-[3-(2-fluoro-4-methoxyphenyl)propanoyl]piperidin-4-yl]phenyl]-4-methyl-5-nitropyridine-2-carboxamide
CID 171685130
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
N-[4-[1-[3-(3-bromo-2-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-2-(dimethylamino)-1,3-oxazole-5-carboxamide
CID 171683857
N-[4-[1-[3-(2-bromo-5-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-4-fluoro-1,3-dimethylpyrazole-5-carboxamide
CID 171684799
N-[4-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]phenyl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 171683216
N-[4-[1-(5-methoxythiophene-2-carbonyl)piperidin-4-yl]phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 171681483
1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
N-[4-[1-[3-(3-bromo-4-fluorophenyl)propanoyl]piperidin-4-yl]phenyl]-3-methoxy-1-methylpyrazole-5-carboxamide
CID 171685253
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]sulfanylacetic acid
CID 120551044
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
2,4-difluoro-3,5-dimethoxy-N-[4-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171698533
3-(2,3-dimethoxyphenyl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propan-1-one
CID 17477979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide (CID 171684363) is 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccc(C2CCN(C(=O)CCc3ccc(C(F)(F)F)cn3)CC2)cc1.
What is the InChIKey of 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide?
The InChIKey is NCPTVWYNQYETSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O3S/c1-35-22-12-15-36-24(22)25(34)31-21-5-2-17(3-6-21)18-10-13-32(14-11-18)23(33)9-8-20-7-4-19(16-30-20)26(27,28)29/h2-7,12,15-16,18H,8-11,13-14H2,1H3,(H,31,34).
What are the key properties of 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide?
3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide has a molecular weight of 517.57 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[1-[3-[5-(trifluoromethyl)-2-pyridinyl]propanoyl]piperidin-4-yl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 171684363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).