5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole

C14H21N3O — CID 82023787

IUPAC5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)C(N1CCNCC1)CN2C
InChIInChI=1S/C14H21N3O/c1-16-10-14(17-7-5-15-6-8-17)12-9-11(18-2)3-4-13(12)16/h3-4,9,14-15H,5-8,10H2,1-2H3
InChIKeyXMEXTDWTZDFJIS-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.09
Rot. Bonds2

About 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole

5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole (PubChem CID 82023787) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
PubChem CID82023787
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole
SMILESCOc1ccc2c(c1)C(N1CCNCC1)CN2C
InChIInChI=1S/C14H21N3O/c1-16-10-14(17-7-5-15-6-8-17)12-9-11(18-2)3-4-13(12)16/h3-4,9,14-15H,5-8,10H2,1-2H3
InChIKeyXMEXTDWTZDFJIS-UHFFFAOYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperazine
CID 54914447
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
2-[(3R)-5-methoxy-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethylethanamine
CID 170323800
6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline
CID 143096897
3-(5-methoxy-1-methyl-2,3-dihydroindol-3-yl)-N-methylpropan-1-amine
CID 117202519
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
CID 91603209
4-(azetidin-1-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
CID 105472992
6-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275574
(5S,11R)-3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
CID 92967246
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-[1-[(2-bromo-5-methoxyphenyl)methyl]azetidin-3-yl]piperazine
CID 66196775

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole?
The IUPAC name of 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole (CID 82023787) is 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole.
What is the SMILES notation for 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole?
The canonical SMILES for 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole is COc1ccc2c(c1)C(N1CCNCC1)CN2C.
What is the InChIKey of 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole?
The InChIKey is XMEXTDWTZDFJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-16-10-14(17-7-5-15-6-8-17)12-9-11(18-2)3-4-13(12)16/h3-4,9,14-15H,5-8,10H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole?
5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole has a molecular weight of 247.34 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-piperazin-1-yl-2,3-dihydroindole is sourced from PubChem (CID 82023787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).