5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

C17H20Cl2N2OS — CID 120557411

IUPAC5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1.Cl
InChIInChI=1S/C17H19ClN2OS.ClH/c1-11-10-19-9-8-14(11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12;/h2-7,11,14,19H,8-10H2,1H3,(H,20,21);1H
InChIKeyCSKBOKGJMFEGCE-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.22
Rot. Bonds3

About 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride

5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (PubChem CID 120557411) has the molecular formula C17H20Cl2N2OS and a molecular weight of 371.33 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
PubChem CID120557411
Molecular FormulaC17H20Cl2N2OS
Molecular Weight371.33 g/mol
Exact Mass370.07
IUPAC Name5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1.Cl
InChIInChI=1S/C17H19ClN2OS.ClH/c1-11-10-19-9-8-14(11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12;/h2-7,11,14,19H,8-10H2,1H3,(H,20,21);1H
InChIKeyCSKBOKGJMFEGCE-UHFFFAOYSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-N-piperidin-3-ylthiophene-2-carboxamide
CID 119426767
5-(4-chlorophenyl)-N-(2-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120598957
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)thiophene-2-carboxamide;hydrochloride
CID 119457422
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
5-chloro-2-fluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 120557983
N-[(3S,4S)-4-(4-chlorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)thiophene-2-carboxamide;hydrochloride
CID 155512930
2-bromo-5-chloro-N-(3-methylpiperidin-4-yl)benzamide
CID 120554233
5-(4-chlorophenyl)-N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)thiophene-2-carboxamide
CID 18180934
3-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120558047
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556103
2-(4-chlorophenyl)-2-ethyl-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120554452
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride (CID 120557411) is 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is CSKBOKGJMFEGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS.ClH/c1-11-10-19-9-8-14(11)20-17(21)16-7-6-15(22-16)12-2-4-13(18)5-3-12;/h2-7,11,14,19H,8-10H2,1H3,(H,20,21);1H.
What are the key properties of 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride?
5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 371.33 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120557411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).