4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine

C21H25FN4OS — CID 69084256

IUPAC4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine
SMILESFc1cc(C2CN(N3CCOCC3)CCN2Cc2cccs2)c2cc[nH]c2c1
InChIInChI=1S/C21H25FN4OS/c22-16-12-19(18-3-4-23-20(18)13-16)21-15-26(25-7-9-27-10-8-25)6-5-24(21)14-17-2-1-11-28-17/h1-4,11-13,21,23H,5-10,14-15H2
InChIKeyXLPHBSFYPPFQSA-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.47
Rot. Bonds4

About 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine

4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine (PubChem CID 69084256) has the molecular formula C21H25FN4OS and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine
PubChem CID69084256
Molecular FormulaC21H25FN4OS
Molecular Weight400.52 g/mol
Exact Mass400.17
IUPAC Name4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine
SMILESFc1cc(C2CN(N3CCOCC3)CCN2Cc2cccs2)c2cc[nH]c2c1
InChIInChI=1S/C21H25FN4OS/c22-16-12-19(18-3-4-23-20(18)13-16)21-15-26(25-7-9-27-10-8-25)6-5-24(21)14-17-2-1-11-28-17/h1-4,11-13,21,23H,5-10,14-15H2
InChIKeyXLPHBSFYPPFQSA-UHFFFAOYSA-N
XLogP3.47
TPSA34.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(1H-Indol-5-yl)-[2-(4-morpholin-4-ylmethyl-phenyl)-thieno[3,2-b]pyridin-7-yl]-amine
CID 18382861
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
N-(3-(3-morpholinopropyl)-1H-indol-5-yl)thiophene-2-carboximidamide
CID 15951191
N1-(2-(1H-indol-3-yl)ethyl)-N2-(1-(4-(4-fluorophenyl)piperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)oxalamide
CID 20866466
3-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1H-indole
CID 122190654
N-(2-(1H-indol-3-yl)ethyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
CID 19848949
5-fluoro-3-[4-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)butyl]-1H-indole
CID 19848960

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine?
The IUPAC name of 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine (CID 69084256) is 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine.
What is the SMILES notation for 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine?
The canonical SMILES for 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine is Fc1cc(C2CN(N3CCOCC3)CCN2Cc2cccs2)c2cc[nH]c2c1.
What is the InChIKey of 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine?
The InChIKey is XLPHBSFYPPFQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4OS/c22-16-12-19(18-3-4-23-20(18)13-16)21-15-26(25-7-9-27-10-8-25)6-5-24(21)14-17-2-1-11-28-17/h1-4,11-13,21,23H,5-10,14-15H2.
What are the key properties of 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine?
4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine has a molecular weight of 400.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-fluoro-1H-indol-4-yl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]morpholine is sourced from PubChem (CID 69084256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).