cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

C17H20N4O — CID 51105571

IUPACcyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)21-10-8-13(9-11-21)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19,20)
InChIKeyWLPLYIGHBSZWBB-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.59
Rot. Bonds3

About cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone

cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (PubChem CID 51105571) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
PubChem CID51105571
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namecyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)21-10-8-13(9-11-21)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19,20)
InChIKeyWLPLYIGHBSZWBB-UHFFFAOYSA-N
XLogP2.59
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone (CID 51105571) is cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1.
What is the InChIKey of cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is WLPLYIGHBSZWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(14-6-7-14)21-10-8-13(9-11-21)16-18-15(19-20-16)12-4-2-1-3-5-12/h1-5,13-14H,6-11H2,(H,18,19,20).
What are the key properties of cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51105571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).