N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C22H22FN3OS — CID 42858063

IUPACN-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H22FN3OS/c23-17-6-8-19(9-7-17)26(22(27)21-5-3-15-28-21)20-10-13-25(14-11-20)16-18-4-1-2-12-24-18/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyHHKQJEHOVWGAFP-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.59
Rot. Bonds5

About N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 42858063) has the molecular formula C22H22FN3OS and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID42858063
Molecular FormulaC22H22FN3OS
Molecular Weight395.50 g/mol
Exact Mass395.15
IUPAC NameN-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C22H22FN3OS/c23-17-6-8-19(9-7-17)26(22(27)21-5-3-15-28-21)20-10-13-25(14-11-20)16-18-4-1-2-12-24-18/h1-9,12,15,20H,10-11,13-14,16H2
InChIKeyHHKQJEHOVWGAFP-UHFFFAOYSA-N
XLogP4.59
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 42853268
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46161870
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
[(3S,3aS,7aR)-3-(4-fluorophenyl)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-thiophen-2-ylmethanone
CID 71532111
3-methyl-N-(4-methylphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]butanamide
CID 42858234
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
[(3aS,6aS)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97376926
[(3aR,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97376927

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 42858063) is N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is HHKQJEHOVWGAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3OS/c23-17-6-8-19(9-7-17)26(22(27)21-5-3-15-28-21)20-10-13-25(14-11-20)16-18-4-1-2-12-24-18/h1-9,12,15,20H,10-11,13-14,16H2.
What are the key properties of N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 42858063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).