3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

C15H23N7O — CID 71893316

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23)
InChIKeyUAQBNMIJZQMSPV-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.99
Rot. Bonds5

About 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide

3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (PubChem CID 71893316) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
PubChem CID71893316
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
SMILESCn1cnnc1C1CCCN(C(=O)NCCCn2cccn2)C1
InChIInChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23)
InChIKeyUAQBNMIJZQMSPV-UHFFFAOYSA-N
XLogP0.99
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide (CID 71893316) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is Cn1cnnc1C1CCCN(C(=O)NCCCn2cccn2)C1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
The InChIKey is UAQBNMIJZQMSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-20-12-17-19-14(20)13-5-2-8-21(11-13)15(23)16-6-3-9-22-10-4-7-18-22/h4,7,10,12-13H,2-3,5-6,8-9,11H2,1H3,(H,16,23).
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide?
3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 71893316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).