3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide

C18H22N2O2S — CID 110903804

IUPAC3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C18H22N2O2S/c1-2-13-9-12-23-17(13)18(22)19-15-5-3-4-6-16(15)20-10-7-14(21)8-11-20/h3-6,9,12,14,21H,2,7-8,10-11H2,1H3,(H,19,22)
InChIKeyKXZWLSFCMMSBNH-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.52
Rot. Bonds4

About 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide

3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide (PubChem CID 110903804) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
PubChem CID110903804
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)Nc1ccccc1N1CCC(O)CC1
InChIInChI=1S/C18H22N2O2S/c1-2-13-9-12-23-17(13)18(22)19-15-5-3-4-6-16(15)20-10-7-14(21)8-11-20/h3-6,9,12,14,21H,2,7-8,10-11H2,1H3,(H,19,22)
InChIKeyKXZWLSFCMMSBNH-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 111462834
3-methyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 35728610
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4-dimethylpentanamide
CID 110929437
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 110900176
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
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110932033
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119859815
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-2-pentoxyacetamide
CID 110909879
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-3,4,4-trimethylpentanamide
CID 111109805
N-[2-(4-hydroxypiperidin-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859796
3-amino-N-(2-ethylphenyl)thiophene-2-carboxamide
CID 61091897

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide (CID 110903804) is 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide is CCc1ccsc1C(=O)Nc1ccccc1N1CCC(O)CC1.
What is the InChIKey of 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is KXZWLSFCMMSBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-13-9-12-23-17(13)18(22)19-15-5-3-4-6-16(15)20-10-7-14(21)8-11-20/h3-6,9,12,14,21H,2,7-8,10-11H2,1H3,(H,19,22).
What are the key properties of 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide?
3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-hydroxypiperidin-1-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 110903804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).