3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole

C22H33N3O — CID 177026594

IUPAC3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(C3CCN(C)CC3)cc12
InChIInChI=1S/C22H33N3O/c1-24-10-7-17(8-11-24)18-5-6-22-21(15-18)19(16-23-22)14-20-4-3-9-25(20)12-13-26-2/h5-6,15-17,20,23H,3-4,7-14H2,1-2H3
InChIKeyPMIAADDIFUSUAO-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.63
Rot. Bonds6

About 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole

3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole (PubChem CID 177026594) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole
PubChem CID177026594
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole
SMILESCOCCN1CCCC1Cc1c[nH]c2ccc(C3CCN(C)CC3)cc12
InChIInChI=1S/C22H33N3O/c1-24-10-7-17(8-11-24)18-5-6-22-21(15-18)19(16-23-22)14-20-4-3-9-25(20)12-13-26-2/h5-6,15-17,20,23H,3-4,7-14H2,1-2H3
InChIKeyPMIAADDIFUSUAO-UHFFFAOYSA-N
XLogP3.63
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indole
CID 176854789
4-[[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]thiane 1-oxide
CID 177026467
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-pyridin-3-yloxy-1H-indole
CID 177026604
2-[3-[[3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1H-indol-5-yl]oxy]propyl]-3H-isoindol-1-one
CID 177026422
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562
3-[[(2R)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854734
3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-amine
CID 59715791
5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 54476619
3-[[(2R)-1-[3-(4-fluorophenyl)propyl]pyrrolidin-2-yl]methyl]-5-methoxy-1H-indole
CID 176854864
formaldehyde;4-[2-[(5-methoxy-1H-indol-3-yl)methyl]pyrrolidin-1-yl]-N-methylbutan-1-amine
CID 177026451
3-[[1-[3-(difluoromethoxy)propyl]pyrrolidin-2-yl]methyl]-5-propan-2-yloxy-1H-indole
CID 177026521
CID 177026586
CID 177026586

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole (CID 177026594) is 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole is COCCN1CCCC1Cc1c[nH]c2ccc(C3CCN(C)CC3)cc12.
What is the InChIKey of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole?
The InChIKey is PMIAADDIFUSUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-24-10-7-17(8-11-24)18-5-6-22-21(15-18)19(16-23-22)14-20-4-3-9-25(20)12-13-26-2/h5-6,15-17,20,23H,3-4,7-14H2,1-2H3.
What are the key properties of 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole?
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole has a molecular weight of 355.53 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-(1-methylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 177026594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).