2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone

C21H23N5O2 — CID 46990972

IUPAC2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-16-5-4-6-18(13-16)28-15-21(27)25-11-8-17(9-12-25)26-14-20(23-24-26)19-7-2-3-10-22-19/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3
InChIKeyBPHZCOSQDRFDQY-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.89
Rot. Bonds5

About 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone

2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 46990972) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
PubChem CID46990972
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(OCC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-16-5-4-6-18(13-16)28-15-21(27)25-11-8-17(9-12-25)26-14-20(23-24-26)19-7-2-3-10-22-19/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3
InChIKeyBPHZCOSQDRFDQY-UHFFFAOYSA-N
XLogP2.89
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(3-methylphenoxy)-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058835
N-(2,5-dimethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 46992891
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone
CID 46992967
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
2-(3-methylphenoxy)-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617132
N-(2-ethylphenyl)-4-(4-pyridin-2-yltriazol-1-yl)piperidine-1-carboxamide
CID 30921570
2-(3-methylphenoxy)-1-[4-(pyridine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110809812
1-benzyl-4-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]piperazine-2,3-dione
CID 53053323
2-(3-methylphenoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 2881898
2-(3-methylphenoxy)-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592138
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone (CID 46990972) is 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone is Cc1cccc(OCC(=O)N2CCC(n3cc(-c4ccccn4)nn3)CC2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is BPHZCOSQDRFDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-5-4-6-18(13-16)28-15-21(27)25-11-8-17(9-12-25)26-14-20(23-24-26)19-7-2-3-10-22-19/h2-7,10,13-14,17H,8-9,11-12,15H2,1H3.
What are the key properties of 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone?
2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-1-[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46990972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).