4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride

C13H23ClN4O2S — CID 120892171

IUPAC4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-10-11(20-17-16-10)12(18)15-8-13(9-19-2)4-6-14-7-5-13;/h14H,3-9H2,1-2H3,(H,15,18);1H
InChIKeyCNWMGXALCCITCX-UHFFFAOYSA-N
MW334.87 g/mol
LogP1.27
Rot. Bonds6

About 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride

4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride (PubChem CID 120892171) has the molecular formula C13H23ClN4O2S and a molecular weight of 334.87 g/mol. Its IUPAC name is 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
PubChem CID120892171
Molecular FormulaC13H23ClN4O2S
Molecular Weight334.87 g/mol
Exact Mass334.12
IUPAC Name4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
SMILESCCc1nnsc1C(=O)NCC1(COC)CCNCC1.Cl
InChIInChI=1S/C13H22N4O2S.ClH/c1-3-10-11(20-17-16-10)12(18)15-8-13(9-19-2)4-6-14-7-5-13;/h14H,3-9H2,1-2H3,(H,15,18);1H
InChIKeyCNWMGXALCCITCX-UHFFFAOYSA-N
XLogP1.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 113400500
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
2-(1-methoxyethyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120887692
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 120889500
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120888736
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 120889134
5-bromo-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 120889009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride (CID 120892171) is 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride is CCc1nnsc1C(=O)NCC1(COC)CCNCC1.Cl.
What is the InChIKey of 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride?
The InChIKey is CNWMGXALCCITCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S.ClH/c1-3-10-11(20-17-16-10)12(18)15-8-13(9-19-2)4-6-14-7-5-13;/h14H,3-9H2,1-2H3,(H,15,18);1H.
What are the key properties of 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride?
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride has a molecular weight of 334.87 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 120892171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).