N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide

C17H20N2OS — CID 9303445

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccsc3)cc2)CC1
InChIInChI=1S/C17H20N2OS/c1-13-6-9-19(10-7-13)16-4-2-15(3-5-16)18-17(20)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyJGSOHVUKDRYVEY-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.24
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide (PubChem CID 9303445) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
PubChem CID9303445
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3ccsc3)cc2)CC1
InChIInChI=1S/C17H20N2OS/c1-13-6-9-19(10-7-13)16-4-2-15(3-5-16)18-17(20)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,18,20)
InChIKeyJGSOHVUKDRYVEY-UHFFFAOYSA-N
XLogP4.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 9303499
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250972
1-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-3H-indole-5-carboxamide
CID 110383921
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-(cyclopentylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109249860
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710
N-[4-(4-methylpiperidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110691023
3-N-[4-(4-methylpiperidin-1-yl)phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 109050431
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
2,3-dimethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 60600795

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide (CID 9303445) is N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide is CC1CCN(c2ccc(NC(=O)c3ccsc3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is JGSOHVUKDRYVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-6-9-19(10-7-13)16-4-2-15(3-5-16)18-17(20)14-8-11-21-12-14/h2-5,8,11-13H,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 9303445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).