N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride

C16H24ClN5O2S — CID 120889134

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(Cc3cccs3)nn2)CCNCC1.Cl
InChIInChI=1S/C16H23N5O2S.ClH/c1-23-12-16(4-6-17-7-5-16)11-18-15(22)14-10-21(20-19-14)9-13-3-2-8-24-13;/h2-3,8,10,17H,4-7,9,11-12H2,1H3,(H,18,22);1H
InChIKeyVEILZJALIIBZNQ-UHFFFAOYSA-N
MW385.92 g/mol
LogP1.56
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 120889134) has the molecular formula C16H24ClN5O2S and a molecular weight of 385.92 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
PubChem CID120889134
Molecular FormulaC16H24ClN5O2S
Molecular Weight385.92 g/mol
Exact Mass385.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(Cc3cccs3)nn2)CCNCC1.Cl
InChIInChI=1S/C16H23N5O2S.ClH/c1-23-12-16(4-6-17-7-5-16)11-18-15(22)14-10-21(20-19-14)9-13-3-2-8-24-13;/h2-3,8,10,17H,4-7,9,11-12H2,1H3,(H,18,22);1H
InChIKeyVEILZJALIIBZNQ-UHFFFAOYSA-N
XLogP1.56
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120887840
N-[3-(methylamino)propyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 119429941
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
5-(furan-2-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 120891466
N-[1-(4-fluorophenyl)cyclopentyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 139004999
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-thiophen-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 120890674
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
2-[[1-(thiophen-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119225272
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120889232

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride (CID 120889134) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride is COCC1(CNC(=O)c2cn(Cc3cccs3)nn2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is VEILZJALIIBZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S.ClH/c1-23-12-16(4-6-17-7-5-16)11-18-15(22)14-10-21(20-19-14)9-13-3-2-8-24-13;/h2-3,8,10,17H,4-7,9,11-12H2,1H3,(H,18,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 385.92 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120889134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).