(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone

C22H22N4O3 — CID 51324265

IUPAC(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-19-9-7-16(8-10-19)21(27)17-11-13-25(14-12-17)22(28)20-15-23-26(24-20)18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3
InChIKeyFGNNEVHEHZQYLR-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.01
Rot. Bonds5

About (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 51324265) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID51324265
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1
InChIInChI=1S/C22H22N4O3/c1-29-19-9-7-16(8-10-19)21(27)17-11-13-25(14-12-17)22(28)20-15-23-26(24-20)18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3
InChIKeyFGNNEVHEHZQYLR-UHFFFAOYSA-N
XLogP3.01
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 154576711
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
[1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473179
(4-ethoxypiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 56817705
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(1-benzylpyrazole-4-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25475301
2-(4-methoxyphenyl)triazole-4-carboxylic acid
CID 78925514
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
(4-benzylpiperidin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 110702375
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone (CID 51324265) is (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is FGNNEVHEHZQYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-19-9-7-16(8-10-19)21(27)17-11-13-25(14-12-17)22(28)20-15-23-26(24-20)18-5-3-2-4-6-18/h2-10,15,17H,11-14H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 390.44 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 51324265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).