3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole

C25H26N2OS — CID 24733645

IUPAC3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESc1cc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc(-c2cccs2)c1
InChIInChI=1S/C25H26N2OS/c1-2-8-24-23(7-1)20(18-26-24)10-13-27-14-11-21(12-15-27)28-22-6-3-5-19(17-22)25-9-4-16-29-25/h1-9,16-18,21,26H,10-15H2
InChIKeyYYFNMJIDWOUGRS-UHFFFAOYSA-N
MW402.56 g/mol
LogP5.98
Rot. Bonds6

About 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole

3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole (PubChem CID 24733645) has the molecular formula C25H26N2OS and a molecular weight of 402.56 g/mol. Its IUPAC name is 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole
PubChem CID24733645
Molecular FormulaC25H26N2OS
Molecular Weight402.56 g/mol
Exact Mass402.18
IUPAC Name3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole
SMILESc1cc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc(-c2cccs2)c1
InChIInChI=1S/C25H26N2OS/c1-2-8-24-23(7-1)20(18-26-24)10-13-27-14-11-21(12-15-27)28-22-6-3-5-19(17-22)25-9-4-16-29-25/h1-9,16-18,21,26H,10-15H2
InChIKeyYYFNMJIDWOUGRS-UHFFFAOYSA-N
XLogP5.98
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[4-(3-chlorophenoxy)piperidin-1-yl]ethyl]-1H-indole
CID 21428727
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
1-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872329
3-[4-(4-thiophen-2-ylpyridin-1-ium-1-yl)butyl]-1H-indole bromide
CID 19848937
4-fluoro-2-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-1H-indole
CID 22364686
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
cyclopropyl-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]methanone
CID 110602085
2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 10198700
2-(6-thiophen-2-yl-1H-indol-3-yl)ethanamine
CID 82293447
1-[2-(1H-indol-3-yl)ethyl]piperidin-3-ol
CID 3054781

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole (CID 24733645) is 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole is c1cc(OC2CCN(CCc3c[nH]c4ccccc34)CC2)cc(-c2cccs2)c1.
What is the InChIKey of 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole?
The InChIKey is YYFNMJIDWOUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2OS/c1-2-8-24-23(7-1)20(18-26-24)10-13-27-14-11-21(12-15-27)28-22-6-3-5-19(17-22)25-9-4-16-29-25/h1-9,16-18,21,26H,10-15H2.
What are the key properties of 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole?
3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole has a molecular weight of 402.56 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-thiophen-2-ylphenoxy)piperidin-1-yl]ethyl]-1H-indole is sourced from PubChem (CID 24733645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).