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

C17H20N4O — CID 53192639

IUPACcyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nncn2-c2ccccc2)CC1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)20-10-8-13(9-11-20)16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyLQEGNMMXHGDZBM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.38
Rot. Bonds3

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

cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192639) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192639
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namecyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nncn2-c2ccccc2)CC1
InChIInChI=1S/C17H20N4O/c22-17(14-6-7-14)20-10-8-13(9-11-20)16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2
InChIKeyLQEGNMMXHGDZBM-UHFFFAOYSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrrolidinone, 1-((1-phenyl-1H-1,2,4-triazol-5-yl)methyl)-
CID 645891
US11691968, Example 121
CID 168474701
3-cyclopropyl-4-phenyl-4H-1,2,4-triazole
CID 115393482
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopentanecarboxamide
CID 40148143
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclopropanecarboxamide
CID 40148144
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]cyclohexanecarboxamide
CID 45883299
1-(cyclopropanecarbonyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]piperidine-4-carboxamide
CID 47049161
1-(cyclopropylmethyl)-5-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 51079714
6-oxo-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 53514636
4-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 53522737
[3-(Dimethylamino)phenyl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53592419
4-[3-(4-phenyl-4H-1,2,4-triazol-3-yl)propyl]morpholine
CID 56714438

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192639) is cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nncn2-c2ccccc2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is LQEGNMMXHGDZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(14-6-7-14)20-10-8-13(9-11-20)16-19-18-12-21(16)15-4-2-1-3-5-15/h1-5,12-14H,6-11H2.
What are the key properties of cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).