5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole

C18H27N3O — CID 171308695

IUPAC5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
SMILESCCCC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1
InChIInChI=1S/C18H27N3O/c1-3-4-5-18(21-10-8-19-9-11-21)16-13-20-17-7-6-14(22-2)12-15(16)17/h6-7,12-13,18-20H,3-5,8-11H2,1-2H3/t18-/m0/s1
InChIKeyTYJIINJZNMANPP-SFHVURJKSA-N
MW301.43 g/mol
LogP3.31
Rot. Bonds6

About 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole

5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole (PubChem CID 171308695) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
PubChem CID171308695
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
SMILESCCCC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1
InChIInChI=1S/C18H27N3O/c1-3-4-5-18(21-10-8-19-9-11-21)16-13-20-17-7-6-14(22-2)12-15(16)17/h6-7,12-13,18-20H,3-5,8-11H2,1-2H3/t18-/m0/s1
InChIKeyTYJIINJZNMANPP-SFHVURJKSA-N
XLogP3.31
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171273725
5-methoxy-3-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171273735
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
5-bromo-3-[(1R)-1-piperazin-1-ylhexyl]-1H-indole;dihydrochloride
CID 171307876
1-[(1S)-1-(4-methoxy-2-methylphenyl)pentyl]piperazine;dihydrochloride
CID 171309604
1-[(1R)-1-(2-fluoro-5-methoxyphenyl)pentyl]piperazine
CID 171171825
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine
CID 171199728
(1R)-1-(5-methoxy-1H-indol-3-yl)pentan-1-amine;hydrochloride
CID 171199729
1-[(1S)-1-(2,4-dimethoxyphenyl)hexyl]piperazine;dihydrochloride
CID 171308814
1-[(1S)-1-[4-methoxy-2-(trifluoromethyl)phenyl]pentyl]piperazine;hydrochloride
CID 171165648
1-[(1R)-1-(6-methoxynaphthalen-2-yl)pentyl]piperazine
CID 171307368

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole (CID 171308695) is 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole is CCCC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1.
What is the InChIKey of 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole?
The InChIKey is TYJIINJZNMANPP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-4-5-18(21-10-8-19-9-11-21)16-13-20-17-7-6-14(22-2)12-15(16)17/h6-7,12-13,18-20H,3-5,8-11H2,1-2H3/t18-/m0/s1.
What are the key properties of 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole?
5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole has a molecular weight of 301.43 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole is sourced from PubChem (CID 171308695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).