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

C21H21FN2O2S — CID 42858050

IUPACN-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-16-5-7-17(8-6-16)24(21(25)20-4-1-13-26-20)18-9-11-23(12-10-18)15-19-3-2-14-27-19/h1-8,13-14,18H,9-12,15H2
InChIKeyNTMWYNQINDJXIC-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.79
Rot. Bonds5

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

N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide (PubChem CID 42858050) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
PubChem CID42858050
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
SMILESO=C(c1ccco1)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C21H21FN2O2S/c22-16-5-7-17(8-6-16)24(21(25)20-4-1-13-26-20)18-9-11-23(12-10-18)15-19-3-2-14-27-19/h1-8,13-14,18H,9-12,15H2
InChIKeyNTMWYNQINDJXIC-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-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46161870
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 42853268
N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
CID 42858124
N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
N-(3-fluorophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide
CID 165361570
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 5050137
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(1-benzylpiperidin-4-yl)-N-cyclopropylfuran-2-carboxamide
CID 3256683
4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858562

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide (CID 42858050) is N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide is O=C(c1ccco1)N(c1ccc(F)cc1)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide?
The InChIKey is NTMWYNQINDJXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c22-16-5-7-17(8-6-16)24(21(25)20-4-1-13-26-20)18-9-11-23(12-10-18)15-19-3-2-14-27-19/h1-8,13-14,18H,9-12,15H2.
What are the key properties of N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide?
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-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-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 42858050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).