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

C18H21FN4O — CID 138035109

IUPAC(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2cc(F)ccc21)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C18H21FN4O/c19-15-2-4-16-14(9-15)1-3-17(16)18(24)22-7-5-13(6-8-22)10-23-12-20-11-21-23/h2,4,9,11-13,17H,1,3,5-8,10H2
InChIKeyVLEOKTRCWGJBPV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.39
Rot. Bonds3

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

(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 138035109) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID138035109
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCc2cc(F)ccc21)N1CCC(Cn2cncn2)CC1
InChIInChI=1S/C18H21FN4O/c19-15-2-4-16-14(9-15)1-3-17(16)18(24)22-7-5-13(6-8-22)10-23-12-20-11-21-23/h2,4,9,11-13,17H,1,3,5-8,10H2
InChIKeyVLEOKTRCWGJBPV-UHFFFAOYSA-N
XLogP2.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 138035109) is (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCc2cc(F)ccc21)N1CCC(Cn2cncn2)CC1.
What is the InChIKey of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is VLEOKTRCWGJBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-2-4-16-14(9-15)1-3-17(16)18(24)22-7-5-13(6-8-22)10-23-12-20-11-21-23/h2,4,9,11-13,17H,1,3,5-8,10H2.
What are the key properties of (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
(5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1H-inden-1-yl)-[4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 138035109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).