N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide

C14H18N4OS — CID 51170643

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2cccc3nsnc23)C1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)9-13(19)15-11-5-2-6-12-14(11)17-20-16-12/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,19)
InChIKeyBYNFOXSXPBWOAE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds3

About N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 51170643) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID51170643
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2cccc3nsnc23)C1
InChIInChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)9-13(19)15-11-5-2-6-12-14(11)17-20-16-12/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,19)
InChIKeyBYNFOXSXPBWOAE-UHFFFAOYSA-N
XLogP2.36
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-4-yl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801631
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282246
2-(3-aminoazetidin-1-yl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 65249909
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 42949652
2-[4-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 46809920
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
N-(2,1,3-benzothiadiazol-4-yl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684776
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 17148996
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17149004
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
N-(2,1,3-benzothiadiazol-4-yl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 4844877

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide (CID 51170643) is N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2cccc3nsnc23)C1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is BYNFOXSXPBWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-4-3-7-18(8-10)9-13(19)15-11-5-2-6-12-14(11)17-20-16-12/h2,5-6,10H,3-4,7-9H2,1H3,(H,15,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 51170643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).