N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide

C18H22N2O2S — CID 110900176

IUPACN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)sc1C
InChIInChI=1S/C18H22N2O2S/c1-12-11-17(23-13(12)2)18(22)19-15-5-3-4-6-16(15)20-9-7-14(21)8-10-20/h3-6,11,14,21H,7-10H2,1-2H3,(H,19,22)
InChIKeyAGEYQSKWPPNVNH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.58
Rot. Bonds3

About N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 110900176) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID110900176
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)sc1C
InChIInChI=1S/C18H22N2O2S/c1-12-11-17(23-13(12)2)18(22)19-15-5-3-4-6-16(15)20-9-7-14(21)8-10-20/h3-6,11,14,21H,7-10H2,1-2H3,(H,19,22)
InChIKeyAGEYQSKWPPNVNH-UHFFFAOYSA-N
XLogP3.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 111462834
3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
CID 110903804
2-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]benzamide
CID 110900198
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 111537095
5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-nitrothiophene-2-carboxamide
CID 31826641
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110932033
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 110901916
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 110900182
5-fluoro-N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-iodobenzamide
CID 86877934
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
5-acetyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 11255926

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide (CID 110900176) is N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)sc1C.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is AGEYQSKWPPNVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-11-17(23-13(12)2)18(22)19-15-5-3-4-6-16(15)20-9-7-14(21)8-10-20/h3-6,11,14,21H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 110900176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).