N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

C21H21FN2O2S — CID 46161870

IUPACN-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-17-3-5-18(6-4-17)24(21(25)20-2-1-13-27-20)19-7-10-23(11-8-19)14-16-9-12-26-15-16/h1-6,9,12-13,15,19H,7-8,10-11,14H2
InChIKeyFWGDIEWBGQKWGG-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds5

About N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide

N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 46161870) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID46161870
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-17-3-5-18(6-4-17)24(21(25)20-2-1-13-27-20)19-7-10-23(11-8-19)14-16-9-12-26-15-16/h1-6,9,12-13,15,19H,7-8,10-11,14H2
InChIKeyFWGDIEWBGQKWGG-UHFFFAOYSA-N
XLogP4.79
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.79
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-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(3-fluoro-4-methylphenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-methylbenzamide
CID 46055125
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-[1-(furan-3-ylmethyl)piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46054906

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide (CID 46161870) is N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2ccoc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is FWGDIEWBGQKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-17-3-5-18(6-4-17)24(21(25)20-2-1-13-27-20)19-7-10-23(11-8-19)14-16-9-12-26-15-16/h1-6,9,12-13,15,19H,7-8,10-11,14H2.
What are the key properties of N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide?
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.79, 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-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 46161870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).