3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide

C23H28N4OS — CID 25366346

IUPAC3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(Cc2ccc3nsnc3c2)CC1
InChIInChI=1S/C23H28N4OS/c1-26(16-19-5-3-2-4-6-19)23(28)10-8-18-11-13-27(14-12-18)17-20-7-9-21-22(15-20)25-29-24-21/h2-7,9,15,18H,8,10-14,16-17H2,1H3
InChIKeyMQGNSMMAOJTASY-UHFFFAOYSA-N
MW408.57 g/mol
LogP4.34
Rot. Bonds7

About 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide

3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide (PubChem CID 25366346) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
PubChem CID25366346
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide
SMILESCN(Cc1ccccc1)C(=O)CCC1CCN(Cc2ccc3nsnc3c2)CC1
InChIInChI=1S/C23H28N4OS/c1-26(16-19-5-3-2-4-6-19)23(28)10-8-18-11-13-27(14-12-18)17-20-7-9-21-22(15-20)25-29-24-21/h2-7,9,15,18H,8,10-14,16-17H2,1H3
InChIKeyMQGNSMMAOJTASY-UHFFFAOYSA-N
XLogP4.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-3-[1-(2-pyridin-4-ylsulfanylacetyl)piperidin-4-yl]propanamide
CID 42456995
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CID 72925004
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407
N-benzyl-N-methyl-3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]propanamide
CID 26328630
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide
CID 10019926
N-benzyl-N-methyl-3-[1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-4-yl]propanamide
CID 42592757
N-benzyl-N-methyl-3-[1-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]piperidin-4-yl]propanamide
CID 42379086
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide;hydrochloride
CID 14096792
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661
3-[(3R)-1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 26393375
N-[3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049346

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide (CID 25366346) is 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide is CN(Cc1ccccc1)C(=O)CCC1CCN(Cc2ccc3nsnc3c2)CC1.
What is the InChIKey of 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
The InChIKey is MQGNSMMAOJTASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-26(16-19-5-3-2-4-6-19)23(28)10-8-18-11-13-27(14-12-18)17-20-7-9-21-22(15-20)25-29-24-21/h2-7,9,15,18H,8,10-14,16-17H2,1H3.
What are the key properties of 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide?
3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide has a molecular weight of 408.57 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,1,3-benzothiadiazol-5-ylmethyl)piperidin-4-yl]-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 25366346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).