4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine

C16H24N4O2S — CID 136554808

IUPAC4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2cc(C)cs2)nnc1N1CCC(OC)CC1
InChIInChI=1S/C16H24N4O2S/c1-12-10-14(23-11-12)15-17-18-16(20(15)8-9-21-2)19-6-4-13(22-3)5-7-19/h10-11,13H,4-9H2,1-3H3
InChIKeyKJUULFAXZWWWRA-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.58
Rot. Bonds6

About 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine

4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 136554808) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine
PubChem CID136554808
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC Name4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCn1c(-c2cc(C)cs2)nnc1N1CCC(OC)CC1
InChIInChI=1S/C16H24N4O2S/c1-12-10-14(23-11-12)15-17-18-16(20(15)8-9-21-2)19-6-4-13(22-3)5-7-19/h10-11,13H,4-9H2,1-3H3
InChIKeyKJUULFAXZWWWRA-UHFFFAOYSA-N
XLogP2.58
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine with MolForge

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Related Compounds

2-(4-Butyl-5-thiophen-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-morpholin-4-yl-ethanone
CID 645128
2-{[4-Ethyl-5-(thiophen-2-YL)-1,2,4-triazol-3-YL]sulfanyl}-1-(morpholin-4-YL)ethanone
CID 1071876
2-[5-(5-Methyl(3-thienyl))-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-ylthio]acetam ide
CID 6469352
N-(2-methoxyethyl)-4-methyl-5-(5-methylthiophen-2-yl)-N-(2-phenylethyl)-1,2,4-triazol-3-amine
CID 100722866
N-(6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethyl)-2-methyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 121556194
4-[5-[(2R)-1,4-dioxan-2-yl]-4-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2,2,6,6-tetramethylmorpholine
CID 164629919
1-[(3S)-1-[4-ethyl-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]pyrrolidin-3-yl]-4-propan-2-ylpiperazine
CID 164630020
2-[(3,5-Dimethyl-1,2,4-triazol-1-yl)methyl]-4-[[5-(trifluoromethyl)thiophen-3-yl]methyl]morpholine
CID 132321921
3-[(4-fluorophenyl)methyl]-5-[(3R)-3-methoxypyrrolidin-1-yl]-4-(thiophen-3-ylmethyl)-1,2,4-triazole
CID 139016164
2-{[4-methyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
CID 977677
2-{[4-(3-Methoxypropyl)-5-(thiophen-2-YL)-1,2,4-triazol-3-YL]sulfanyl}-1-(3-methylpiperidin-1-YL)ethanone
CID 3181367
3-(2-Methoxyethylsulfanyl)-4-(3-methoxypropyl)-5-thiophen-2-yl-1,2,4-triazole
CID 57475433

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine (CID 136554808) is 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine is COCCn1c(-c2cc(C)cs2)nnc1N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is KJUULFAXZWWWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-12-10-14(23-11-12)15-17-18-16(20(15)8-9-21-2)19-6-4-13(22-3)5-7-19/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine?
4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 336.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[4-(2-methoxyethyl)-5-(4-methylthiophen-2-yl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 136554808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).