2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide

C18H20N2O3S — CID 110929194

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide
SMILESCc1ccsc1-c1cccc(NC(=O)C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-7-9-24-16(12)13-4-2-5-14(10-13)19-17(22)18(23)20-8-3-6-15(21)11-20/h2,4-5,7,9-10,15,21H,3,6,8,11H2,1H3,(H,19,22)
InChIKeyZOGURDLGTLQXRT-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.65
Rot. Bonds2

About 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide

2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide (PubChem CID 110929194) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide
PubChem CID110929194
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide
SMILESCc1ccsc1-c1cccc(NC(=O)C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C18H20N2O3S/c1-12-7-9-24-16(12)13-4-2-5-14(10-13)19-17(22)18(23)20-8-3-6-15(21)11-20/h2,4-5,7,9-10,15,21H,3,6,8,11H2,1H3,(H,19,22)
InChIKeyZOGURDLGTLQXRT-UHFFFAOYSA-N
XLogP2.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[3-(3-methylthiophen-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 86887682
N-(4-bromophenyl)-2-(3-hydroxypiperidin-1-yl)-2-oxoacetamide
CID 47336291
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[3-[[(1R,3R)-3-methylcyclohexyl]oxymethyl]phenyl]-2-oxoacetamide
CID 95252065
1-[(3S)-1-methyl-6-oxopiperidin-3-yl]-3-[3-(3-methylthiophen-2-yl)phenyl]urea
CID 95774139
N-(9-ethylcarbazol-3-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoacetamide
CID 96563263
(3S)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628247
(3R)-3-hydroxy-N-(3-methylphenyl)piperidine-1-carbothioamide
CID 8628249
(4-aminoazepan-1-yl)-[3-(3-methylthiophen-2-yl)phenyl]methanone;hydrochloride
CID 154906937
(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111754825
(E)-1-[(3S)-3-hydroxypiperidin-1-yl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 93040592
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide (CID 110929194) is 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide is Cc1ccsc1-c1cccc(NC(=O)C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide?
The InChIKey is ZOGURDLGTLQXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-12-7-9-24-16(12)13-4-2-5-14(10-13)19-17(22)18(23)20-8-3-6-15(21)11-20/h2,4-5,7,9-10,15,21H,3,6,8,11H2,1H3,(H,19,22).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide?
2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[3-(3-methylthiophen-2-yl)phenyl]-2-oxoacetamide is sourced from PubChem (CID 110929194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).