2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

C19H26N4O2 — CID 53192604

IUPAC2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)COc2ccccc2C)CC1
InChIInChI=1S/C19H26N4O2/c1-3-10-23-14-20-21-19(23)16-8-11-22(12-9-16)18(24)13-25-17-7-5-4-6-15(17)2/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyIXRLCTKNPWVQHN-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.78
Rot. Bonds6

About 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone

2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 53192604) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
PubChem CID53192604
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
SMILESCCCn1cnnc1C1CCN(C(=O)COc2ccccc2C)CC1
InChIInChI=1S/C19H26N4O2/c1-3-10-23-14-20-21-19(23)16-8-11-22(12-9-16)18(24)13-25-17-7-5-4-6-15(17)2/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyIXRLCTKNPWVQHN-UHFFFAOYSA-N
XLogP2.78
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 70777917
ethyl 4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 807890
N,N-diethyl-4-[2-(2-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 110366149
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
ethyl 4-[2-(2-methylphenoxy)acetyl]-1,4-diazepane-1-carboxylate
CID 110799178
2-(2-methylphenoxy)-1-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 121163056
2-[3-[(3S)-1-[2-(2-methylphenoxy)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126433535
2-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 2050633
4-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoate
CID 2050274
2-(2-chlorophenoxy)-1-[2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 128974587
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 154737982
1-(4-aminopiperidin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 82042517

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone (CID 53192604) is 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is CCCn1cnnc1C1CCN(C(=O)COc2ccccc2C)CC1.
What is the InChIKey of 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IXRLCTKNPWVQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-10-23-14-20-21-19(23)16-8-11-22(12-9-16)18(24)13-25-17-7-5-4-6-15(17)2/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone?
2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[4-(4-propyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53192604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).