2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone

C16H20N4O2 — CID 121165003

IUPAC2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-13-2-4-15(5-3-13)22-12-16(21)19-10-6-14(7-11-19)20-17-8-9-18-20/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyPNUOKNRPIAIMJI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.83
Rot. Bonds4

About 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone

2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 121165003) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
PubChem CID121165003
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1ccc(OCC(=O)N2CCC(n3nccn3)CC2)cc1
InChIInChI=1S/C16H20N4O2/c1-13-2-4-15(5-3-13)22-12-16(21)19-10-6-14(7-11-19)20-17-8-9-18-20/h2-5,8-9,14H,6-7,10-12H2,1H3
InChIKeyPNUOKNRPIAIMJI-UHFFFAOYSA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenoxy)-1-(4-pyrazol-1-ylpiperidin-1-yl)ethanone
CID 110866981
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90616528
6-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113082613
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
1-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 46704974
1-(5-methyl-1,4-diazepan-1-yl)-2-(4-methylphenoxy)ethanone
CID 82246426
1-(4,4-dimethylpiperidin-1-yl)-2-(4-methylphenoxy)ethanone
CID 110738619
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-(3,5-dimethylpiperidin-1-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone;oxalic acid
CID 2910783
1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone (CID 121165003) is 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone is Cc1ccc(OCC(=O)N2CCC(n3nccn3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is PNUOKNRPIAIMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13-2-4-15(5-3-13)22-12-16(21)19-10-6-14(7-11-19)20-17-8-9-18-20/h2-5,8-9,14H,6-7,10-12H2,1H3.
What are the key properties of 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone?
2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121165003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).