2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

C16H19ClN4O2 — CID 86793603

IUPAC2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(Cl)c1CC(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-23-15-4-2-3-14(17)13(15)11-16(22)20-8-5-12(6-9-20)21-10-7-18-19-21/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyUZUZYRMKKLBORT-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.35
Rot. Bonds4

About 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone

2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 86793603) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
PubChem CID86793603
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(Cl)c1CC(=O)N1CCC(n2ccnn2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-23-15-4-2-3-14(17)13(15)11-16(22)20-8-5-12(6-9-20)21-10-7-18-19-21/h2-4,7,10,12H,5-6,8-9,11H2,1H3
InChIKeyUZUZYRMKKLBORT-UHFFFAOYSA-N
XLogP2.35
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 99877381
1-[2-(2-chloro-6-methoxyphenyl)acetyl]piperidine-3-carboxylic acid
CID 120684308
2-(2-chlorophenyl)-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
CID 121154697
(5-chloro-2-methoxyphenyl)-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877296
1-[3-(triazol-1-yl)pyrrolidin-1-yl]-3-(2,3,4-trimethoxyphenyl)propan-1-one
CID 121150879
2-(2,6-dimethoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119545416
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
2-(4-fluorophenyl)sulfanyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151174
N-(2-ethoxyphenyl)-4-(triazol-1-yl)piperidine-1-carboxamide
CID 121151383
1-[2-(2,6-dichlorophenyl)acetyl]piperidine-4-carboxylic acid
CID 17494701
(6R)-4-[2-(2-chloro-6-methoxyphenyl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120689579
2-cyclopentyl-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone
CID 121151131

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone (CID 86793603) is 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is COc1cccc(Cl)c1CC(=O)N1CCC(n2ccnn2)CC1.
What is the InChIKey of 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is UZUZYRMKKLBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-15-4-2-3-14(17)13(15)11-16(22)20-8-5-12(6-9-20)21-10-7-18-19-21/h2-4,7,10,12H,5-6,8-9,11H2,1H3.
What are the key properties of 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone?
2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 334.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxyphenyl)-1-[4-(triazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86793603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).