N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

C23H31FN2OS — CID 45200785

IUPACN-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)CN1CCC(C(Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1
InChIInChI=1S/C23H31FN2OS/c1-17(2)16-26-12-10-18(11-13-26)21(15-19-7-4-5-8-20(19)24)25(3)23(27)22-9-6-14-28-22/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3
InChIKeyUBKSAMJHSYYKPM-UHFFFAOYSA-N
MW402.58 g/mol
LogP4.94
Rot. Bonds7

About N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 45200785) has the molecular formula C23H31FN2OS and a molecular weight of 402.58 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
PubChem CID45200785
Molecular FormulaC23H31FN2OS
Molecular Weight402.58 g/mol
Exact Mass402.21
IUPAC NameN-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCC(C)CN1CCC(C(Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1
InChIInChI=1S/C23H31FN2OS/c1-17(2)16-26-12-10-18(11-13-26)21(15-19-7-4-5-8-20(19)24)25(3)23(27)22-9-6-14-28-22/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3
InChIKeyUBKSAMJHSYYKPM-UHFFFAOYSA-N
XLogP4.94
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 26329882
N-[(1R)-1-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 42331233
N-[(1R)-1-[1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 42377601
N-[2-(2-fluorophenyl)-1-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45192419
N-[(1R)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211628
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42211634
N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42317575
N-[2-(2-fluorophenyl)-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45246837
N-[(1S)-1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42273995
N-[(1R)-1-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 42429334
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 45204957
N-[2-(2-fluorophenyl)-1-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45249461

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (CID 45200785) is N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is CC(C)CN1CCC(C(Cc2ccccc2F)N(C)C(=O)c2cccs2)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is UBKSAMJHSYYKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2OS/c1-17(2)16-26-12-10-18(11-13-26)21(15-19-7-4-5-8-20(19)24)25(3)23(27)22-9-6-14-28-22/h4-9,14,17-18,21H,10-13,15-16H2,1-3H3.
What are the key properties of N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-1-[1-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 45200785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).