[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone

C19H23FN4O — CID 138035163

IUPAC[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
SMILESCCc1nc(C2CCN(C(=O)C3CCc4cc(F)ccc43)CC2)n[nH]1
InChIInChI=1S/C19H23FN4O/c1-2-17-21-18(23-22-17)12-7-9-24(10-8-12)19(25)16-5-3-13-11-14(20)4-6-15(13)16/h4,6,11-12,16H,2-3,5,7-10H2,1H3,(H,21,22,23)
InChIKeyDELJSBNIOPDLAJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.94
Rot. Bonds3

About [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone (PubChem CID 138035163) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
PubChem CID138035163
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone
SMILESCCc1nc(C2CCN(C(=O)C3CCc4cc(F)ccc43)CC2)n[nH]1
InChIInChI=1S/C19H23FN4O/c1-2-17-21-18(23-22-17)12-7-9-24(10-8-12)19(25)16-5-3-13-11-14(20)4-6-15(13)16/h4,6,11-12,16H,2-3,5,7-10H2,1H3,(H,21,22,23)
InChIKeyDELJSBNIOPDLAJ-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone?
The IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone (CID 138035163) is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone.
What is the SMILES notation for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone?
The canonical SMILES for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone is CCc1nc(C2CCN(C(=O)C3CCc4cc(F)ccc43)CC2)n[nH]1.
What is the InChIKey of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone?
The InChIKey is DELJSBNIOPDLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-2-17-21-18(23-22-17)12-7-9-24(10-8-12)19(25)16-5-3-13-11-14(20)4-6-15(13)16/h4,6,11-12,16H,2-3,5,7-10H2,1H3,(H,21,22,23).
What are the key properties of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone?
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone has a molecular weight of 342.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(5-fluoro-2,3-dihydro-1H-inden-1-yl)methanone is sourced from PubChem (CID 138035163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).