N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide

C25H28FN3OS — CID 26329882

IUPACN-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28FN3OS/c1-28(25(30)24-7-4-16-31-24)23(17-21-5-2-3-6-22(21)26)20-10-14-29(15-11-20)18-19-8-12-27-13-9-19/h2-9,12-13,16,20,23H,10-11,14-15,17-18H2,1H3/t23-/m1/s1
InChIKeyAHWMOVSXBHXHQX-HSZRJFAPSA-N
MW437.58 g/mol
LogP4.88
Rot. Bonds7

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

N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 26329882) has the molecular formula C25H28FN3OS and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
PubChem CID26329882
Molecular FormulaC25H28FN3OS
Molecular Weight437.58 g/mol
Exact Mass437.19
IUPAC NameN-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
SMILESCN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C25H28FN3OS/c1-28(25(30)24-7-4-16-31-24)23(17-21-5-2-3-6-22(21)26)20-10-14-29(15-11-20)18-19-8-12-27-13-9-19/h2-9,12-13,16,20,23H,10-11,14-15,17-18H2,1H3/t23-/m1/s1
InChIKeyAHWMOVSXBHXHQX-HSZRJFAPSA-N
XLogP4.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2-methylpropyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide
CID 45200785
N-[(1S)-2-(2-fluorophenyl)-1-[1-(quinolin-8-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 42317575
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N-methylthiophene-3-carboxamide
CID 45204957
N-methyl-N-[(1S)-2-phenyl-1-[1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-4-yl]ethyl]thiophene-2-carboxamide
CID 42370017
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-[(4-acetamidophenyl)methyl]piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42436409
N-[(1R)-2-(2-fluorophenyl)-1-[1-[[3-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 26342286
N-[1-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-2-(2-fluorophenyl)ethyl]-N,2-dimethylfuran-3-carboxamide
CID 118754266
N-[2-(2-fluorophenyl)-1-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N-methylthiophene-3-carboxamide
CID 45246837
N-[(1S)-2-(2-fluorophenyl)-1-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 42539908

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide (CID 26329882) is N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is CN(C(=O)c1cccs1)[C@H](Cc1ccccc1F)C1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is AHWMOVSXBHXHQX-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H28FN3OS/c1-28(25(30)24-7-4-16-31-24)23(17-21-5-2-3-6-22(21)26)20-10-14-29(15-11-20)18-19-8-12-27-13-9-19/h2-9,12-13,16,20,23H,10-11,14-15,17-18H2,1H3/t23-/m1/s1.
What are the key properties of N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide?
N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(2-fluorophenyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 26329882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).