(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone

C24H27F2NO2 — CID 67697281

IUPAC(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)C1CCN(CCCOc2cccc3c2CCC3)CC1
InChIInChI=1S/C24H27F2NO2/c25-21-9-8-19(16-22(21)26)24(28)18-10-13-27(14-11-18)12-3-15-29-23-7-2-5-17-4-1-6-20(17)23/h2,5,7-9,16,18H,1,3-4,6,10-15H2
InChIKeyBEFYXAGKGLWMSL-UHFFFAOYSA-N
MW399.48 g/mol
LogP4.82
Rot. Bonds7

About (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone

(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone (PubChem CID 67697281) has the molecular formula C24H27F2NO2 and a molecular weight of 399.48 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone
PubChem CID67697281
Molecular FormulaC24H27F2NO2
Molecular Weight399.48 g/mol
Exact Mass399.20
IUPAC Name(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)C1CCN(CCCOc2cccc3c2CCC3)CC1
InChIInChI=1S/C24H27F2NO2/c25-21-9-8-19(16-22(21)26)24(28)18-10-13-27(14-11-18)12-3-15-29-23-7-2-5-17-4-1-6-20(17)23/h2,5,7-9,16,18H,1,3-4,6,10-15H2
InChIKeyBEFYXAGKGLWMSL-UHFFFAOYSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone (CID 67697281) is (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone is O=C(c1ccc(F)c(F)c1)C1CCN(CCCOc2cccc3c2CCC3)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone?
The InChIKey is BEFYXAGKGLWMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2NO2/c25-21-9-8-19(16-22(21)26)24(28)18-10-13-27(14-11-18)12-3-15-29-23-7-2-5-17-4-1-6-20(17)23/h2,5,7-9,16,18H,1,3-4,6,10-15H2.
What are the key properties of (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone?
(3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone has a molecular weight of 399.48 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[1-[3-(2,3-dihydro-1H-inden-4-yloxy)propyl]piperidin-4-yl]methanone is sourced from PubChem (CID 67697281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).