N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide

C14H17N5O — CID 2915286

IUPACN-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C14H17N5O/c20-14(13-15-10-16-18-13)17-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,20)(H,15,16,18)
InChIKeyBNVZRNLZBHTNEZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.05
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide

N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 2915286) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID2915286
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC NameN-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C14H17N5O/c20-14(13-15-10-16-18-13)17-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,20)(H,15,16,18)
InChIKeyBNVZRNLZBHTNEZ-UHFFFAOYSA-N
XLogP2.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 2915286) is N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ncn[nH]1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is BNVZRNLZBHTNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c20-14(13-15-10-16-18-13)17-11-4-6-12(7-5-11)19-8-2-1-3-9-19/h4-7,10H,1-3,8-9H2,(H,17,20)(H,15,16,18).
What are the key properties of N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide?
N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 2915286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).