N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C15H23N7O — CID 77095230

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C15H23N7O/c23-15(18-7-4-13-9-16-11-19-13)14-10-22(21-20-14)8-5-12-3-1-2-6-17-12/h9-12,17H,1-8H2,(H,16,19)(H,18,23)
InChIKeyFVKFTYWJZMLERS-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.51
Rot. Bonds7

About N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 77095230) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID77095230
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C15H23N7O/c23-15(18-7-4-13-9-16-11-19-13)14-10-22(21-20-14)8-5-12-3-1-2-6-17-12/h9-12,17H,1-8H2,(H,16,19)(H,18,23)
InChIKeyFVKFTYWJZMLERS-UHFFFAOYSA-N
XLogP0.51
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 77095230) is N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is O=C(NCCc1cnc[nH]1)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is FVKFTYWJZMLERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c23-15(18-7-4-13-9-16-11-19-13)14-10-22(21-20-14)8-5-12-3-1-2-6-17-12/h9-12,17H,1-8H2,(H,16,19)(H,18,23).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 77095230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).