6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole

C18H24N2O — CID 69419460

IUPAC6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCOc1ccc2c(c1)c(C1CCN(C)CC1)c1n2CCC1
InChIInChI=1S/C18H24N2O/c1-19-10-7-13(8-11-19)18-15-12-14(21-2)5-6-16(15)20-9-3-4-17(18)20/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyXFABVMNMRDQKDJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.41
Rot. Bonds2

About 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole

6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole (PubChem CID 69419460) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
PubChem CID69419460
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
SMILESCOc1ccc2c(c1)c(C1CCN(C)CC1)c1n2CCC1
InChIInChI=1S/C18H24N2O/c1-19-10-7-13(8-11-19)18-15-12-14(21-2)5-6-16(15)20-9-3-4-17(18)20/h5-6,12-13H,3-4,7-11H2,1-2H3
InChIKeyXFABVMNMRDQKDJ-UHFFFAOYSA-N
XLogP3.41
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 157226928
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CID 19784338
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1-(benzenesulfonyl)-5-methoxy-3-(1-methylpyrrolidin-3-yl)indole
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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole (CID 69419460) is 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole is COc1ccc2c(c1)c(C1CCN(C)CC1)c1n2CCC1.
What is the InChIKey of 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is XFABVMNMRDQKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-19-10-7-13(8-11-19)18-15-12-14(21-2)5-6-16(15)20-9-3-4-17(18)20/h5-6,12-13H,3-4,7-11H2,1-2H3.
What are the key properties of 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole?
6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 284.40 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 69419460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).