1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole

C23H37N3 — CID 174441483

IUPAC1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
SMILESCCN1CCC(Cc2ccc3c(c2)N(C2CCN(CC)CC2)CC3)CC1
InChIInChI=1S/C23H37N3/c1-3-24-12-7-19(8-13-24)17-20-5-6-21-9-16-26(23(21)18-20)22-10-14-25(4-2)15-11-22/h5-6,18-19,22H,3-4,7-17H2,1-2H3
InChIKeyANKOKUJRLWYXBP-UHFFFAOYSA-N
MW355.57 g/mol
LogP3.81
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole

1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole (PubChem CID 174441483) has the molecular formula C23H37N3 and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
PubChem CID174441483
Molecular FormulaC23H37N3
Molecular Weight355.57 g/mol
Exact Mass355.30
IUPAC Name1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
SMILESCCN1CCC(Cc2ccc3c(c2)N(C2CCN(CC)CC2)CC3)CC1
InChIInChI=1S/C23H37N3/c1-3-24-12-7-19(8-13-24)17-20-5-6-21-9-16-26(23(21)18-20)22-10-14-25(4-2)15-11-22/h5-6,18-19,22H,3-4,7-17H2,1-2H3
InChIKeyANKOKUJRLWYXBP-UHFFFAOYSA-N
XLogP3.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.57
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-4-yl)-6-(pyridin-4-ylmethyl)-2,3-dihydroindole
CID 174391233
N-[[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 174378639
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
1-cyclohexyl-6-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindole
CID 22732022
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole
CID 22038365
anisole;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole
CID 174390999
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
CID 174406027
2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetonitrile
CID 22038126
1-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]ethanol
CID 22037899
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methylsulfanylperoxy]methanamine
CID 23377505

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole (CID 174441483) is 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole is CCN1CCC(Cc2ccc3c(c2)N(C2CCN(CC)CC2)CC3)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole?
The InChIKey is ANKOKUJRLWYXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3/c1-3-24-12-7-19(8-13-24)17-20-5-6-21-9-16-26(23(21)18-20)22-10-14-25(4-2)15-11-22/h5-6,18-19,22H,3-4,7-17H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole?
1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole has a molecular weight of 355.57 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole is sourced from PubChem (CID 174441483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).