1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine

C17H26N4OS — CID 154771863

IUPAC1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine
SMILESCCn1c(Cc2cccs2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C17H26N4OS/c1-4-21-15(12-14-6-5-11-23-14)18-19-16(21)20-9-7-17(2,8-10-20)13-22-3/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKeyPPLRVYGFCKTFOW-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine

1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine (PubChem CID 154771863) has the molecular formula C17H26N4OS and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine.

Molecular Properties

Compound Name1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine
PubChem CID154771863
Molecular FormulaC17H26N4OS
Molecular Weight334.49 g/mol
Exact Mass334.18
IUPAC Name1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine
SMILESCCn1c(Cc2cccs2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C17H26N4OS/c1-4-21-15(12-14-6-5-11-23-14)18-19-16(21)20-9-7-17(2,8-10-20)13-22-3/h5-6,11H,4,7-10,12-13H2,1-3H3
InChIKeyPPLRVYGFCKTFOW-UHFFFAOYSA-N
XLogP3.20
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine with MolForge

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Related Compounds

4-[[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]methyl]pyridine
CID 136572959
4-(2-methoxyethyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 113366003
4-[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-2-propan-2-ylmorpholine
CID 136572941
1-[4-ethyl-5-[(5-methyl-1H-pyrazol-3-yl)methyl]-1,2,4-triazol-3-yl]-4-methoxy-4-methylazepane
CID 154746401
2-[(4-ethyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 8838317
methyl 5-carbamoyl-2-[[2-[[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 17303770
4-[4-(methoxymethyl)-4-methylpiperidin-1-yl]aniline
CID 121203126
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 7742409
1-(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)-4-(furan-2-ylmethyl)piperazine
CID 167818462
[4-methyl-1-(thiophen-2-ylmethyl)piperidin-4-yl]methanol
CID 104695288
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
5-methyl-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 82061343

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine?
The IUPAC name of 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine (CID 154771863) is 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine.
What is the SMILES notation for 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine?
The canonical SMILES for 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine is CCn1c(Cc2cccs2)nnc1N1CCC(C)(COC)CC1.
What is the InChIKey of 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine?
The InChIKey is PPLRVYGFCKTFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4OS/c1-4-21-15(12-14-6-5-11-23-14)18-19-16(21)20-9-7-17(2,8-10-20)13-22-3/h5-6,11H,4,7-10,12-13H2,1-3H3.
What are the key properties of 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine?
1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine has a molecular weight of 334.49 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]-4-(methoxymethyl)-4-methylpiperidine is sourced from PubChem (CID 154771863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).