N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide

C13H23N5O — CID 86722715

IUPACN-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
SMILESO=C(CCCCCc1cn[nH]n1)NC1CCNCC1
InChIInChI=1S/C13H23N5O/c19-13(16-11-6-8-14-9-7-11)5-3-1-2-4-12-10-15-18-17-12/h10-11,14H,1-9H2,(H,16,19)(H,15,17,18)
InChIKeyOVTQLDCLKDTFIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.78
Rot. Bonds7

About N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide

N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide (PubChem CID 86722715) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
PubChem CID86722715
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide
SMILESO=C(CCCCCc1cn[nH]n1)NC1CCNCC1
InChIInChI=1S/C13H23N5O/c19-13(16-11-6-8-14-9-7-11)5-3-1-2-4-12-10-15-18-17-12/h10-11,14H,1-9H2,(H,16,19)(H,15,17,18)
InChIKeyOVTQLDCLKDTFIH-UHFFFAOYSA-N
XLogP0.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide?
The IUPAC name of N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide (CID 86722715) is N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide.
What is the SMILES notation for N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide?
The canonical SMILES for N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide is O=C(CCCCCc1cn[nH]n1)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide?
The InChIKey is OVTQLDCLKDTFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c19-13(16-11-6-8-14-9-7-11)5-3-1-2-4-12-10-15-18-17-12/h10-11,14H,1-9H2,(H,16,19)(H,15,17,18).
What are the key properties of N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide?
N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide has a molecular weight of 265.36 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-6-(2H-triazol-4-yl)hexanamide is sourced from PubChem (CID 86722715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).