1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide

C22H23N5O2 — CID 119125999

IUPAC1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N5O2/c1-15-20(22(29)26-13-11-18(12-14-26)21(23)28)24-25-27(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H2,23,28)
InChIKeyRPMSDTFHOJBLKX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds4

About 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide

1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 119125999) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID119125999
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide
SMILESCc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H23N5O2/c1-15-20(22(29)26-13-11-18(12-14-26)21(23)28)24-25-27(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H2,23,28)
InChIKeyRPMSDTFHOJBLKX-UHFFFAOYSA-N
XLogP2.58
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide (CID 119125999) is 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide is Cc1c(C(=O)N2CCC(C(N)=O)CC2)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is RPMSDTFHOJBLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15-20(22(29)26-13-11-18(12-14-26)21(23)28)24-25-27(15)19-9-7-17(8-10-19)16-5-3-2-4-6-16/h2-10,18H,11-14H2,1H3,(H2,23,28).
What are the key properties of 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide?
1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(4-phenylphenyl)triazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 119125999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).