N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

C19H23FN2O2S — CID 16672673

IUPACN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)s1
InChIInChI=1S/C19H23FN2O2S/c1-14-5-6-17(25-14)18(23)21-9-12-22-10-7-19(24,8-11-22)15-3-2-4-16(20)13-15/h2-6,13,24H,7-12H2,1H3,(H,21,23)
InChIKeyYMJSFFSNGJPYFO-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.91
Rot. Bonds5

About N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide

N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 16672673) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
PubChem CID16672673
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC NameN-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)s1
InChIInChI=1S/C19H23FN2O2S/c1-14-5-6-17(25-14)18(23)21-9-12-22-10-7-19(24,8-11-22)15-3-2-4-16(20)13-15/h2-6,13,24H,7-12H2,1H3,(H,21,23)
InChIKeyYMJSFFSNGJPYFO-UHFFFAOYSA-N
XLogP2.91
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]benzamide
CID 46965021
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171671169
2-(4-fluorophenyl)-N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]acetamide
CID 46965115
N-[2-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 46965069
2-chloro-N-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 54130706
2-amino-N-[2-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]ethyl]-4-fluorobenzamide
CID 21428879
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 46965111
N-(2-fluoroethyl)-5-methylthiophene-2-carboxamide
CID 130710625
N-[2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 46965093
5-methyl-N-[2-oxo-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]ethyl]thiophene-2-carboxamide
CID 55933830
3,5-difluoro-N-[2-[4-hydroxy-4-(2-methoxyphenyl)piperidin-1-yl]ethyl]benzamide
CID 16676890
N-[2-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46965137

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide (CID 16672673) is N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCCN2CCC(O)(c3cccc(F)c3)CC2)s1.
What is the InChIKey of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is YMJSFFSNGJPYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c1-14-5-6-17(25-14)18(23)21-9-12-22-10-7-19(24,8-11-22)15-3-2-4-16(20)13-15/h2-6,13,24H,7-12H2,1H3,(H,21,23).
What are the key properties of N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide?
N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-fluorophenyl)-4-hydroxypiperidin-1-yl]ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 16672673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).