[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone

C21H22N4O2 — CID 50745397

IUPAC[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-12-10-16(11-13-18)20-22-19(21(26)24-14-6-3-7-15-24)23-25(20)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyCMMAZCFJNWCKLW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds4

About [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone

[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 50745397) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
PubChem CID50745397
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2nc(C(=O)N3CCCCC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C21H22N4O2/c1-27-18-12-10-16(11-13-18)20-22-19(21(26)24-14-6-3-7-15-24)23-25(20)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3
InChIKeyCMMAZCFJNWCKLW-UHFFFAOYSA-N
XLogP3.57
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91556055
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
CID 50745622
N-(3-chloro-2-methylphenyl)-5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 50745535
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 29200826

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone (CID 50745397) is [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone is COc1ccc(-c2nc(C(=O)N3CCCCC3)nn2-c2ccccc2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CMMAZCFJNWCKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-18-12-10-16(11-13-18)20-22-19(21(26)24-14-6-3-7-15-24)23-25(20)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone?
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50745397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).