1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

C19H26N4O2 — CID 91920130

IUPAC1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCCc1n[nH]c(CC2CCN(C(=O)COc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-18(22-21-17)12-15-8-10-23(11-9-15)19(24)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,21,22)
InChIKeyGESUVWSYLITUPA-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.54
Rot. Bonds6

About 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 91920130) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID91920130
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCCc1n[nH]c(CC2CCN(C(=O)COc3ccc(C)cc3)CC2)n1
InChIInChI=1S/C19H26N4O2/c1-3-17-20-18(22-21-17)12-15-8-10-23(11-9-15)19(24)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,21,22)
InChIKeyGESUVWSYLITUPA-UHFFFAOYSA-N
XLogP2.54
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone with MolForge

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Related Compounds

1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 86797242
2-(4-methylphenoxy)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289470
1-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90492782
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone;hydrochloride
CID 119483775
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121165003
2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91908114
1-(3-methoxypyrrolidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 108730604
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 740892
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone (CID 91920130) is 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is CCc1n[nH]c(CC2CCN(C(=O)COc3ccc(C)cc3)CC2)n1.
What is the InChIKey of 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is GESUVWSYLITUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-17-20-18(22-21-17)12-15-8-10-23(11-9-15)19(24)13-25-16-6-4-14(2)5-7-16/h4-7,15H,3,8-13H2,1-2H3,(H,20,21,22).
What are the key properties of 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 91920130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).