2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

C13H20N2O2S — CID 110898342

IUPAC2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15-5-2-11(16)3-6-15/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyVUDGAUYBKLHISQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 110898342) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID110898342
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CNC(=O)CN1CCC(O)CC1
InChIInChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15-5-2-11(16)3-6-15/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17)
InChIKeyVUDGAUYBKLHISQ-UHFFFAOYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391
N-[(3-methylthiophen-2-yl)methyl]-4-[2-oxo-2-(propylamino)ethyl]piperazine-1-carboxamide
CID 52574907
1-[2-[(3-methylthiophen-2-yl)methylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909191
N-[(3-methylthiophen-2-yl)methyl]-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760359
2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87015088
2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78897047
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide;hydrochloride
CID 120760372
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87022837
3-methyl-1-[(3-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782899
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 26406442
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32990360
2-[cyclopropyl(2-hydroxyethyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 110899449

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 110898342) is 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CNC(=O)CN1CCC(O)CC1.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is VUDGAUYBKLHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10-4-7-18-12(10)8-14-13(17)9-15-5-2-11(16)3-6-15/h4,7,11,16H,2-3,5-6,8-9H2,1H3,(H,14,17).
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 268.38 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 110898342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).