N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide

C19H26N4O2S — CID 45198903

IUPACN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1CCN1CCCC(CN(C)C(=O)c2cnsn2)C1
InChIInChI=1S/C19H26N4O2S/c1-22(19(24)17-12-20-26-21-17)13-15-6-5-10-23(14-15)11-9-16-7-3-4-8-18(16)25-2/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3
InChIKeyNEVHGXOOYUQCDG-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.57
Rot. Bonds7

About N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide

N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide (PubChem CID 45198903) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
PubChem CID45198903
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
SMILESCOc1ccccc1CCN1CCCC(CN(C)C(=O)c2cnsn2)C1
InChIInChI=1S/C19H26N4O2S/c1-22(19(24)17-12-20-26-21-17)13-15-6-5-10-23(14-15)11-9-16-7-3-4-8-18(16)25-2/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3
InChIKeyNEVHGXOOYUQCDG-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 45199861
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylpyrimidine-5-carboxamide
CID 97280831
N'-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 42287360
N'-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,N,N'-trimethylbutanediamide
CID 23723725
2-acetamido-N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methylacetamide
CID 25364961
1-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 26391346
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 72845348
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 97269542
N-[[(3S)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 25305282
N-[[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 42212910
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide
CID 25280060
N-[[(3R)-1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl-methylsulfamoyl]-N-methylethanamine
CID 97282112

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide (CID 45198903) is N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide is COc1ccccc1CCN1CCCC(CN(C)C(=O)c2cnsn2)C1.
What is the InChIKey of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is NEVHGXOOYUQCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-22(19(24)17-12-20-26-21-17)13-15-6-5-10-23(14-15)11-9-16-7-3-4-8-18(16)25-2/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3.
What are the key properties of N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide?
N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 45198903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).