N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide

C23H21F3N2OS — CID 42853268

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C23H21F3N2OS/c24-16-6-8-17(9-7-16)28(23(29)22-5-2-14-30-22)18-10-12-27(13-11-18)15-19-20(25)3-1-4-21(19)26/h1-9,14,18H,10-13,15H2
InChIKeyPBSLGFCXSYCXBU-UHFFFAOYSA-N
MW430.50 g/mol
LogP5.48
Rot. Bonds5

About N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 42853268) has the molecular formula C23H21F3N2OS and a molecular weight of 430.50 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID42853268
Molecular FormulaC23H21F3N2OS
Molecular Weight430.50 g/mol
Exact Mass430.13
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C23H21F3N2OS/c24-16-6-8-17(9-7-16)28(23(29)22-5-2-14-30-22)18-10-12-27(13-11-18)15-19-20(25)3-1-4-21(19)26/h1-9,14,18H,10-13,15H2
InChIKeyPBSLGFCXSYCXBU-UHFFFAOYSA-N
XLogP5.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 46048154
N-(4-fluorophenyl)-N-[1-(furan-3-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 46161870
N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)acetamide
CID 46047958
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
2-fluoro-N-(4-fluorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46048024
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 46161824
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N-(1-benzylpiperidin-4-yl)-N-(4-fluorophenyl)furan-2-carboxamide
CID 42853216

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide (CID 42853268) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide is O=C(c1cccs1)N(c1ccc(F)cc1)C1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is PBSLGFCXSYCXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N2OS/c24-16-6-8-17(9-7-16)28(23(29)22-5-2-14-30-22)18-10-12-27(13-11-18)15-19-20(25)3-1-4-21(19)26/h1-9,14,18H,10-13,15H2.
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 42853268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).