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

C20H25FN2OS — CID 55959793

IUPAC5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H25FN2OS/c1-3-18-14(2)12-19(25-18)20(24)22-17-8-10-23(11-9-17)13-15-4-6-16(21)7-5-15/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,24)
InChIKeyQTYRJTXPRKOMRQ-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.15
Rot. Bonds5

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

5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide (PubChem CID 55959793) has the molecular formula C20H25FN2OS and a molecular weight of 360.50 g/mol. Its IUPAC name is 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
PubChem CID55959793
Molecular FormulaC20H25FN2OS
Molecular Weight360.50 g/mol
Exact Mass360.17
IUPAC Name5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C20H25FN2OS/c1-3-18-14(2)12-19(25-18)20(24)22-17-8-10-23(11-9-17)13-15-4-6-16(21)7-5-15/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,24)
InChIKeyQTYRJTXPRKOMRQ-UHFFFAOYSA-N
XLogP4.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide
CID 55957736
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 16613362
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
4-bromo-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 55960708
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
3-(dimethylamino)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960952
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
3-(dimethylsulfamoyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55960567
2-[ethyl(methyl)amino]-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]butanamide
CID 131930881

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide (CID 55959793) is 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide is CCc1sc(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide?
The InChIKey is QTYRJTXPRKOMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2OS/c1-3-18-14(2)12-19(25-18)20(24)22-17-8-10-23(11-9-17)13-15-4-6-16(21)7-5-15/h4-7,12,17H,3,8-11,13H2,1-2H3,(H,22,24).
What are the key properties of 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide?
5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 55959793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).