1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

C17H22N6O2 — CID 87035974

IUPAC1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-5-14(24)23-10-7-12(8-11-23)16(25)20-17-19-15(21-22-17)13-6-3-4-9-18-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H2,19,20,21,22,25)
InChIKeyYDQOPFOOCPICBH-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.84
Rot. Bonds5

About 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide

1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (PubChem CID 87035974) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
PubChem CID87035974
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1
InChIInChI=1S/C17H22N6O2/c1-2-5-14(24)23-10-7-12(8-11-23)16(25)20-17-19-15(21-22-17)13-6-3-4-9-18-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H2,19,20,21,22,25)
InChIKeyYDQOPFOOCPICBH-UHFFFAOYSA-N
XLogP1.84
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)cyclopentanecarboxamide
CID 51081301
1-acetyl-N-(5-naphthalen-1-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 47558112
1-(2-methylpropanoyl)-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide
CID 154794256
1-pentanoyl-N-phenylpiperidine-4-carboxamide
CID 17491790
(1R)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95049996
1-acetyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 70814551
1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55931675
1-butanoyl-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55895483
2-phenylsulfanyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 87018830
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide (CID 87035974) is 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)Nc2n[nH]c(-c3ccccn3)n2)CC1.
What is the InChIKey of 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
The InChIKey is YDQOPFOOCPICBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-2-5-14(24)23-10-7-12(8-11-23)16(25)20-17-19-15(21-22-17)13-6-3-4-9-18-13/h3-4,6,9,12H,2,5,7-8,10-11H2,1H3,(H2,19,20,21,22,25).
What are the key properties of 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide?
1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 87035974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).