N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

C16H20N4O3S — CID 72862388

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2ccc3nsnc3c2)C1
InChIInChI=1S/C16H20N4O3S/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)17-8-11-4-5-13-14(7-11)19-24-18-13/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,22)
InChIKeyCTJHXSWFDBAETF-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.19
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 72862388) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID72862388
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)NCc2ccc3nsnc3c2)C1
InChIInChI=1S/C16H20N4O3S/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)17-8-11-4-5-13-14(7-11)19-24-18-13/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,22)
InChIKeyCTJHXSWFDBAETF-UHFFFAOYSA-N
XLogP1.19
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72924717
(3R)-N-(cyclohexen-1-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97274269
(3S)-1-(2-methoxyacetyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 177213594
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 97198544
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-(2-methoxyacetyl)-N-[2-(N-methylanilino)ethyl]piperidine-3-carboxamide
CID 72923133
1-(2-methoxyacetyl)-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 72904031
(3R)-1-(2-methoxyacetyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 97116576
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3S)-1-butanoyl-N-[[2-[ethyl(methyl)amino]-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 95326986

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 72862388) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CCCC(C(=O)NCc2ccc3nsnc3c2)C1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is CTJHXSWFDBAETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-23-10-15(21)20-6-2-3-12(9-20)16(22)17-8-11-4-5-13-14(7-11)19-24-18-13/h4-5,7,12H,2-3,6,8-10H2,1H3,(H,17,22).
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 72862388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).