3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide

C21H26N2O3S — CID 125444247

IUPAC3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCC(=O)c1sccc1-c1cccc(C(=O)NCCCN2CCC[C@@H](O)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-15(24)20-19(8-12-27-20)16-5-2-6-17(13-16)21(26)22-9-4-11-23-10-3-7-18(25)14-23/h2,5-6,8,12-13,18,25H,3-4,7,9-11,14H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyGZWISLGBNMAVBG-GOSISDBHSA-N
MW386.52 g/mol
LogP3.19
Rot. Bonds7

About 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide

3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide (PubChem CID 125444247) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
PubChem CID125444247
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
SMILESCC(=O)c1sccc1-c1cccc(C(=O)NCCCN2CCC[C@@H](O)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-15(24)20-19(8-12-27-20)16-5-2-6-17(13-16)21(26)22-9-4-11-23-10-3-7-18(25)14-23/h2,5-6,8,12-13,18,25H,3-4,7,9-11,14H2,1H3,(H,22,26)/t18-/m1/s1
InChIKeyGZWISLGBNMAVBG-GOSISDBHSA-N
XLogP3.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
3-(2-acetylthiophen-3-yl)-N-(1,1-dioxothiolan-3-yl)benzamide
CID 121499202
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 126436627
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068846
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111429524
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443
6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 119064664
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(methylsulfamoyl)benzamide
CID 133231319
2,3-bis(4-methoxyphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 20967727

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The IUPAC name of 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide (CID 125444247) is 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The canonical SMILES for 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide is CC(=O)c1sccc1-c1cccc(C(=O)NCCCN2CCC[C@@H](O)C2)c1.
What is the InChIKey of 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
The InChIKey is GZWISLGBNMAVBG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-15(24)20-19(8-12-27-20)16-5-2-6-17(13-16)21(26)22-9-4-11-23-10-3-7-18(25)14-23/h2,5-6,8,12-13,18,25H,3-4,7,9-11,14H2,1H3,(H,22,26)/t18-/m1/s1.
What are the key properties of 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide?
3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylthiophen-3-yl)-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 125444247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).