4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine

C22H26FN3OS — CID 69095887

IUPAC4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOC(CN3CCCCC3)C2)cs1
InChIInChI=1S/C22H26FN3OS/c23-19-4-5-20-18(6-7-24-20)22(19)21-12-16(15-28-21)26-10-11-27-17(14-26)13-25-8-2-1-3-9-25/h4-7,12,15,17,24H,1-3,8-11,13-14H2
InChIKeyGEWMLHNWUABWQW-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.73
Rot. Bonds4

About 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine

4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine (PubChem CID 69095887) has the molecular formula C22H26FN3OS and a molecular weight of 399.54 g/mol. Its IUPAC name is 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine
PubChem CID69095887
Molecular FormulaC22H26FN3OS
Molecular Weight399.54 g/mol
Exact Mass399.18
IUPAC Name4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine
SMILESFc1ccc2[nH]ccc2c1-c1cc(N2CCOC(CN3CCCCC3)C2)cs1
InChIInChI=1S/C22H26FN3OS/c23-19-4-5-20-18(6-7-24-20)22(19)21-12-16(15-28-21)26-10-11-27-17(14-26)13-25-8-2-1-3-9-25/h4-7,12,15,17,24H,1-3,8-11,13-14H2
InChIKeyGEWMLHNWUABWQW-UHFFFAOYSA-N
XLogP4.73
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3d
CID 5329364
(2-Methyl-1H-indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 10434122
4-(1H-indol-5-ylamino)-2-[4-(morpholin-4-ylmethyl)phenyl]thieno[2,3-b]pyridine-5-carbonitrile
CID 16123709
2-({4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzyl}-methyl-amino)-ethanol
CID 18382794
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
2-(2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzylamino}-ethoxy)-ethanol
CID 18382898
2-{4-[7-(1H-Indol-5-ylamino)-thieno[3,2-b]pyridin-2-yl]-benzylamino}-ethanol
CID 18382902
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155534839
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-3-ylphenyl)piperidin-1-yl]propyl]-1H-indole
CID 155549761
(3R)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569439
(3S)-3-(1H-indol-4-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine;hydrochloride
CID 44569474

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine?
The IUPAC name of 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine (CID 69095887) is 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine.
What is the SMILES notation for 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine?
The canonical SMILES for 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine is Fc1ccc2[nH]ccc2c1-c1cc(N2CCOC(CN3CCCCC3)C2)cs1.
What is the InChIKey of 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine?
The InChIKey is GEWMLHNWUABWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3OS/c23-19-4-5-20-18(6-7-24-20)22(19)21-12-16(15-28-21)26-10-11-27-17(14-26)13-25-8-2-1-3-9-25/h4-7,12,15,17,24H,1-3,8-11,13-14H2.
What are the key properties of 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine?
4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine has a molecular weight of 399.54 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-fluoro-1H-indol-4-yl)thiophen-3-yl]-2-(piperidin-1-ylmethyl)morpholine is sourced from PubChem (CID 69095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).