3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile

C23H24FN3O — CID 10134202

IUPAC3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H24FN3O/c24-19-3-5-20(6-4-19)28-13-1-10-27-11-8-18(9-12-27)22-16-26-23-7-2-17(15-25)14-21(22)23/h2-7,14,16,18,26H,1,8-13H2
InChIKeyPEQMCZPAGPOLSO-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.83
Rot. Bonds6

About 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile

3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile (PubChem CID 10134202) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
PubChem CID10134202
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C23H24FN3O/c24-19-3-5-20(6-4-19)28-13-1-10-27-11-8-18(9-12-27)22-16-26-23-7-2-17(15-25)14-21(22)23/h2-7,14,16,18,26H,1,8-13H2
InChIKeyPEQMCZPAGPOLSO-UHFFFAOYSA-N
XLogP4.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(3-phenoxypropyl)piperidin-4-yl]-1H-indole-5-carbonitrile
CID 10109123
5-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propoxy]-2-methyl-1,3-benzothiazole
CID 10180659
5-[5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pentoxy]-2-methyl-1,3-benzothiazole
CID 10182471
4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzonitrile
CID 14407100
4-[5-[[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 18416538
3-[1-[3-(4-fluorophenoxy)propylsulfonyl]piperidin-4-yl]-5-phenyl-1H-indole
CID 141141054
1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
5-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-1H-indole-3-carbonitrile
CID 10193950
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile?
The IUPAC name of 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile (CID 10134202) is 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile?
The canonical SMILES for 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CCN(CCCOc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile?
The InChIKey is PEQMCZPAGPOLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c24-19-3-5-20(6-4-19)28-13-1-10-27-11-8-18(9-12-27)22-16-26-23-7-2-17(15-25)14-21(22)23/h2-7,14,16,18,26H,1,8-13H2.
What are the key properties of 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile?
3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile has a molecular weight of 377.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 10134202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).