1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole

C20H29N3 — CID 70037900

IUPAC1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole
SMILESCN1CCC(c2ccc3cc(C4CCCN4C)n(C)c3c2)CC1
InChIInChI=1S/C20H29N3/c1-21-11-8-15(9-12-21)16-6-7-17-14-20(23(3)19(17)13-16)18-5-4-10-22(18)2/h6-7,13-15,18H,4-5,8-12H2,1-3H3
InChIKeyWPDXDTXWNXEQAN-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole

1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole (PubChem CID 70037900) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole.

Molecular Properties

Compound Name1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole
PubChem CID70037900
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole
SMILESCN1CCC(c2ccc3cc(C4CCCN4C)n(C)c3c2)CC1
InChIInChI=1S/C20H29N3/c1-21-11-8-15(9-12-21)16-6-7-17-14-20(23(3)19(17)13-16)18-5-4-10-22(18)2/h6-7,13-15,18H,4-5,8-12H2,1-3H3
InChIKeyWPDXDTXWNXEQAN-UHFFFAOYSA-N
XLogP3.75
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole?
The IUPAC name of 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole (CID 70037900) is 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole.
What is the SMILES notation for 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole?
The canonical SMILES for 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole is CN1CCC(c2ccc3cc(C4CCCN4C)n(C)c3c2)CC1.
What is the InChIKey of 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole?
The InChIKey is WPDXDTXWNXEQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3/c1-21-11-8-15(9-12-21)16-6-7-17-14-20(23(3)19(17)13-16)18-5-4-10-22(18)2/h6-7,13-15,18H,4-5,8-12H2,1-3H3.
What are the key properties of 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole?
1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole has a molecular weight of 311.47 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-methylpiperidin-4-yl)-2-(1-methylpyrrolidin-2-yl)indole is sourced from PubChem (CID 70037900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).