1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile

C23H24FN3O — CID 69072549

IUPAC1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile
SMILESN#Cc1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C23H24FN3O/c24-19-6-8-20(9-7-19)28-21-10-14-26(15-11-21)12-3-13-27-17-18(16-25)22-4-1-2-5-23(22)27/h1-2,4-9,17,21H,3,10-15H2
InChIKeySEAGPHKJOCAYST-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.59
Rot. Bonds6

About 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile

1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile (PubChem CID 69072549) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile
PubChem CID69072549
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile
SMILESN#Cc1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12
InChIInChI=1S/C23H24FN3O/c24-19-6-8-20(9-7-19)28-21-10-14-26(15-11-21)12-3-13-27-17-18(16-25)22-4-1-2-5-23(22)27/h1-2,4-9,17,21H,3,10-15H2
InChIKeySEAGPHKJOCAYST-UHFFFAOYSA-N
XLogP4.59
TPSA41.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile?
The IUPAC name of 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile (CID 69072549) is 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile?
The canonical SMILES for 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile is N#Cc1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.
What is the InChIKey of 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile?
The InChIKey is SEAGPHKJOCAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-6-8-20(9-7-19)28-21-10-14-26(15-11-21)12-3-13-27-17-18(16-25)22-4-1-2-5-23(22)27/h1-2,4-9,17,21H,3,10-15H2.
What are the key properties of 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile?
1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile has a molecular weight of 377.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carbonitrile is sourced from PubChem (CID 69072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).