1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide

C22H23N5O3 — CID 17052419

IUPAC1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(C(N)=O)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-18-9-7-17(8-10-18)27-21(16-5-3-2-4-6-16)24-20(25-27)22(29)26-13-11-15(12-14-26)19(23)28/h2-10,15H,11-14H2,1H3,(H2,23,28)
InChIKeyIQIZEFDVGXDFFT-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.28
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide

1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 17052419) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
PubChem CID17052419
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)N3CCC(C(N)=O)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C22H23N5O3/c1-30-18-9-7-17(8-10-18)27-21(16-5-3-2-4-6-16)24-20(25-27)22(29)26-13-11-15(12-14-26)19(23)28/h2-10,15H,11-14H2,1H3,(H2,23,28)
InChIKeyIQIZEFDVGXDFFT-UHFFFAOYSA-N
XLogP2.28
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 55803622
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91556055
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
CID 119125999
[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
1-[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 4032604
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 17052400

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide (CID 17052419) is 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide is COc1ccc(-n2nc(C(=O)N3CCC(C(N)=O)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is IQIZEFDVGXDFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-30-18-9-7-17(8-10-18)27-21(16-5-3-2-4-6-16)24-20(25-27)22(29)26-13-11-15(12-14-26)19(23)28/h2-10,15H,11-14H2,1H3,(H2,23,28).
What are the key properties of 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide?
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 17052419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).