5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole

C14H21N3O — CID 115004341

IUPAC5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CN1CCNCC1)CN2
InChIInChI=1S/C14H21N3O/c1-18-12-2-3-14-13(8-12)11(9-16-14)10-17-6-4-15-5-7-17/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyGSPQDGCRSXJREI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.11
Rot. Bonds3

About 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole

5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole (PubChem CID 115004341) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
PubChem CID115004341
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole
SMILESCOc1ccc2c(c1)C(CN1CCNCC1)CN2
InChIInChI=1S/C14H21N3O/c1-18-12-2-3-14-13(8-12)11(9-16-14)10-17-6-4-15-5-7-17/h2-3,8,11,15-16H,4-7,9-10H2,1H3
InChIKeyGSPQDGCRSXJREI-UHFFFAOYSA-N
XLogP1.11
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
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

5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117202376
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
3-(cyclopentylmethyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106986010
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
(3R)-5-methoxy-3-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244502
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)propan-1-amine
CID 83860328
6-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline
CID 84623888
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indol-4-ol
CID 117200389

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole (CID 115004341) is 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole is COc1ccc2c(c1)C(CN1CCNCC1)CN2.
What is the InChIKey of 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is GSPQDGCRSXJREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-12-2-3-14-13(8-12)11(9-16-14)10-17-6-4-15-5-7-17/h2-3,8,11,15-16H,4-7,9-10H2,1H3.
What are the key properties of 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole?
5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 247.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(piperazin-1-ylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115004341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).