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

C24H24F2N2OS — CID 46048154

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C24H24F2N2OS/c1-17-7-9-18(10-8-17)28(24(29)23-6-3-15-30-23)19-11-13-27(14-12-19)16-20-21(25)4-2-5-22(20)26/h2-10,15,19H,11-14,16H2,1H3
InChIKeyHJDYHFHHJCUXIR-UHFFFAOYSA-N
MW426.53 g/mol
LogP5.65
Rot. Bonds5

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

N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide (PubChem CID 46048154) has the molecular formula C24H24F2N2OS and a molecular weight of 426.53 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
PubChem CID46048154
Molecular FormulaC24H24F2N2OS
Molecular Weight426.53 g/mol
Exact Mass426.16
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide
SMILESCc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C24H24F2N2OS/c1-17-7-9-18(10-8-17)28(24(29)23-6-3-15-30-23)19-11-13-27(14-12-19)16-20-21(25)4-2-5-22(20)26/h2-10,15,19H,11-14,16H2,1H3
InChIKeyHJDYHFHHJCUXIR-UHFFFAOYSA-N
XLogP5.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.53
LogP ≤ 55.65
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-fluorophenyl)thiophene-2-carboxamide
CID 42853268
N-(4-methylphenyl)-N-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]thiophene-2-carboxamide
CID 42858227
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-fluorophenyl)acetamide
CID 46047958
N-(4-fluorophenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 42858063
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)furan-2-carboxamide
CID 42853344
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 46161824
N-(3-fluoro-4-methylphenyl)-2-methyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
CID 42858124
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide (CID 46048154) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide is Cc1ccc(N(C(=O)c2cccs2)C2CCN(Cc3c(F)cccc3F)CC2)cc1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide?
The InChIKey is HJDYHFHHJCUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2OS/c1-17-7-9-18(10-8-17)28(24(29)23-6-3-15-30-23)19-11-13-27(14-12-19)16-20-21(25)4-2-5-22(20)26/h2-10,15,19H,11-14,16H2,1H3.
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)thiophene-2-carboxamide has a molecular weight of 426.53 g/mol, XLogP of 5.65, 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-methylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 46048154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).