N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide

C18H23N3O2S — CID 118740427

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)11-15-6-10-24-12-15)13-18(23)7-4-9-21(14-18)16-5-2-3-8-19-16/h2-3,5-6,8,10,12,23H,4,7,9,11,13-14H2,1H3
InChIKeyMHUWMJSKVOAQLG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.18
Rot. Bonds5

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide (PubChem CID 118740427) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
PubChem CID118740427
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)Cc1ccsc1
InChIInChI=1S/C18H23N3O2S/c1-20(17(22)11-15-6-10-24-12-15)13-18(23)7-4-9-21(14-18)16-5-2-3-8-19-16/h2-3,5-6,8,10,12,23H,4,7,9,11,13-14H2,1H3
InChIKeyMHUWMJSKVOAQLG-UHFFFAOYSA-N
XLogP2.18
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide (CID 118740427) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide is CN(CC1(O)CCCN(c2ccccn2)C1)C(=O)Cc1ccsc1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
The InChIKey is MHUWMJSKVOAQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20(17(22)11-15-6-10-24-12-15)13-18(23)7-4-9-21(14-18)16-5-2-3-8-19-16/h2-3,5-6,8,10,12,23H,4,7,9,11,13-14H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 118740427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).