3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile

C18H21N3O — CID 10379775

IUPAC3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCOCC4)C3)c2c1
InChIInChI=1S/C18H21N3O/c19-11-13-1-4-18-16(9-13)17(12-20-18)14-2-3-15(10-14)21-5-7-22-8-6-21/h1,4,9,12,14-15,20H,2-3,5-8,10H2
InChIKeyHBLFIZWSFUABEH-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.01
Rot. Bonds2

About 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile

3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile (PubChem CID 10379775) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile
PubChem CID10379775
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]cc(C3CCC(N4CCOCC4)C3)c2c1
InChIInChI=1S/C18H21N3O/c19-11-13-1-4-18-16(9-13)17(12-20-18)14-2-3-15(10-14)21-5-7-22-8-6-21/h1,4,9,12,14-15,20H,2-3,5-8,10H2
InChIKeyHBLFIZWSFUABEH-UHFFFAOYSA-N
XLogP3.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile?
The IUPAC name of 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile (CID 10379775) is 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile.
What is the SMILES notation for 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile?
The canonical SMILES for 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]cc(C3CCC(N4CCOCC4)C3)c2c1.
What is the InChIKey of 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile?
The InChIKey is HBLFIZWSFUABEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-11-13-1-4-18-16(9-13)17(12-20-18)14-2-3-15(10-14)21-5-7-22-8-6-21/h1,4,9,12,14-15,20H,2-3,5-8,10H2.
What are the key properties of 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile?
3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylcyclopentyl)-1H-indole-5-carbonitrile is sourced from PubChem (CID 10379775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).