N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride

C17H20ClFN2OS — CID 155564927

IUPACN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1.Cl
InChIInChI=1S/C17H19FN2OS.ClH/c1-11-5-6-16(22-11)17(21)20-15-10-19-8-7-14(15)12-3-2-4-13(18)9-12;/h2-6,9,14-15,19H,7-8,10H2,1H3,(H,20,21);1H/t14-,15+;/m0./s1
InChIKeyYLZOGUPSFOKGAJ-LDXVYITESA-N
MW354.88 g/mol
LogP3.49
Rot. Bonds3

About N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride

N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride (PubChem CID 155564927) has the molecular formula C17H20ClFN2OS and a molecular weight of 354.88 g/mol. Its IUPAC name is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride
PubChem CID155564927
Molecular FormulaC17H20ClFN2OS
Molecular Weight354.88 g/mol
Exact Mass354.10
IUPAC NameN-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1.Cl
InChIInChI=1S/C17H19FN2OS.ClH/c1-11-5-6-16(22-11)17(21)20-15-10-19-8-7-14(15)12-3-2-4-13(18)9-12;/h2-6,9,14-15,19H,7-8,10H2,1H3,(H,20,21);1H/t14-,15+;/m0./s1
InChIKeyYLZOGUPSFOKGAJ-LDXVYITESA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10017099
Thiophene derivative, 3d
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Thiophene derivative, 3e
CID 25023798
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-phenylthiophene-2-carboxamide
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N-[(1R)-2-amino-1-phenylethyl]-5-(2-chlorophenyl)-2-methylthiophene-3-carboxamide
CID 129012089
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CID 1247475
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
[4-(5-Ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-phenylmethanone
CID 4780261
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 4786487
5-methyl-N-[2-oxo-2-(3-phenylpropylamino)ethyl]thiophene-2-carboxamide
CID 4787702
N-(2-{[2-(4-methylphenyl)ethyl]amino}-2-oxoethyl)thiophene-2-carboxamide
CID 5127938

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride (CID 155564927) is N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride is Cc1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2cccc(F)c2)s1.Cl.
What is the InChIKey of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
The InChIKey is YLZOGUPSFOKGAJ-LDXVYITESA-N. The full InChI is InChI=1S/C17H19FN2OS.ClH/c1-11-5-6-16(22-11)17(21)20-15-10-19-8-7-14(15)12-3-2-4-13(18)9-12;/h2-6,9,14-15,19H,7-8,10H2,1H3,(H,20,21);1H/t14-,15+;/m0./s1.
What are the key properties of N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride?
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-methylthiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 155564927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).