N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide

C13H18N2O3S — CID 114679938

IUPACN-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(O)C(C)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-7-15(6-5-10(8)17)13(18)11-3-4-12(19-11)14-9(2)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,14,16)
InChIKeyQWDJCEJBAMGTFZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.55
Rot. Bonds2

About N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide

N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide (PubChem CID 114679938) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
PubChem CID114679938
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(O)C(C)C2)s1
InChIInChI=1S/C13H18N2O3S/c1-8-7-15(6-5-10(8)17)13(18)11-3-4-12(19-11)14-9(2)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,14,16)
InChIKeyQWDJCEJBAMGTFZ-UHFFFAOYSA-N
XLogP1.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-hydroxypiperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 43415885
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
N-[5-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 60705923
(4,5-dibromothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678693
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593
N-[5-(3-methyl-4-pyrazin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]acetamide
CID 166270134
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
(4-amino-3-methylpiperidin-1-yl)-(5-chlorothiophen-2-yl)methanone
CID 79879754
(4-hydroxy-3-methylpiperidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107036453
(5-amino-1-benzothiophen-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677503
(3-hydroxyazetidin-1-yl)-[5-(methylamino)thiophen-2-yl]methanone
CID 130748056
N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide (CID 114679938) is N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(O)C(C)C2)s1.
What is the InChIKey of N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide?
The InChIKey is QWDJCEJBAMGTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8-7-15(6-5-10(8)17)13(18)11-3-4-12(19-11)14-9(2)16/h3-4,8,10,17H,5-7H2,1-2H3,(H,14,16).
What are the key properties of N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide?
N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide has a molecular weight of 282.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-hydroxy-3-methylpiperidine-1-carbonyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 114679938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).