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

C16H23N3O — CID 171273725

IUPAC5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-3-16(19-8-6-17-7-9-19)14-11-18-15-5-4-12(20-2)10-13(14)15/h4-5,10-11,16-18H,3,6-9H2,1-2H3/t16-/m0/s1
InChIKeyDWODEBCZJUQYCW-INIZCTEOSA-N
MW273.38 g/mol
LogP2.53
Rot. Bonds4

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

5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole (PubChem CID 171273725) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
PubChem CID171273725
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
SMILESCC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1
InChIInChI=1S/C16H23N3O/c1-3-16(19-8-6-17-7-9-19)14-11-18-15-5-4-12(20-2)10-13(14)15/h4-5,10-11,16-18H,3,6-9H2,1-2H3/t16-/m0/s1
InChIKeyDWODEBCZJUQYCW-INIZCTEOSA-N
XLogP2.53
TPSA40.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[(1S)-1-piperazin-1-ylpentyl]-1H-indole
CID 171308695
5-methoxy-3-[(1S)-1-piperazin-1-ylbut-3-enyl]-1H-indole
CID 171273735
5-bromo-3-[(1R)-1-piperazin-1-ylpropyl]-1H-indole
CID 171290931
5-bromo-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 171278306
5-methoxy-3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171286352
5-methoxy-3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171273728
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258
3-[1-(1,4-diazepan-1-yl)propyl]-1H-indole
CID 82300147
5-methoxy-3-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]-1H-indole
CID 171273749
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
3-(5-methoxy-1H-indol-3-yl)-N-methylpentan-1-amine
CID 167471942
5-bromo-3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
CID 171290940

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The IUPAC name of 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole (CID 171273725) is 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole.
What is the SMILES notation for 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The canonical SMILES for 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole is CC[C@@H](c1c[nH]c2ccc(OC)cc12)N1CCNCC1.
What is the InChIKey of 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
The InChIKey is DWODEBCZJUQYCW-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(19-8-6-17-7-9-19)14-11-18-15-5-4-12(20-2)10-13(14)15/h4-5,10-11,16-18H,3,6-9H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole?
5-methoxy-3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole has a molecular weight of 273.38 g/mol, XLogP of 2.53, 4 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-ylpropyl]-1H-indole is sourced from PubChem (CID 171273725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).