2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

C13H19N3O3S — CID 47012786

IUPAC2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCCC(O)C1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H19N3O3S/c17-10-3-1-5-16(8-10)9-12(18)15-13(19)14-7-11-4-2-6-20-11/h2,4,6,10,17H,1,3,5,7-9H2,(H2,14,15,18,19)
InChIKeyHQQBRPLVCYPTKL-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.53
Rot. Bonds4

About 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide

2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (PubChem CID 47012786) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
PubChem CID47012786
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
SMILESO=C(CN1CCCC(O)C1)NC(=O)NCc1cccs1
InChIInChI=1S/C13H19N3O3S/c17-10-3-1-5-16(8-10)9-12(18)15-13(19)14-7-11-4-2-6-20-11/h2,4,6,10,17H,1,3,5,7-9H2,(H2,14,15,18,19)
InChIKeyHQQBRPLVCYPTKL-UHFFFAOYSA-N
XLogP0.53
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9248959
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperidin-4-yl]propanamide
CID 55739363
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 120761760
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 86928319
ethyl 4-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]piperazine-1-carboxylate
CID 9431083
2-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 33439918
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498283
N-[4-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 47091651
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 55498848

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide (CID 47012786) is 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is O=C(CN1CCCC(O)C1)NC(=O)NCc1cccs1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
The InChIKey is HQQBRPLVCYPTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c17-10-3-1-5-16(8-10)9-12(18)15-13(19)14-7-11-4-2-6-20-11/h2,4,6,10,17H,1,3,5,7-9H2,(H2,14,15,18,19).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide?
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide has a molecular weight of 297.38 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide is sourced from PubChem (CID 47012786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).