4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine

C20H29N3O2 — CID 142686536

IUPAC4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(CN4CCOCC4)cc3c2)C1
InChIInChI=1S/C20H29N3O2/c1-15(2)23-6-5-19(14-23)25-18-3-4-20-16(12-18)11-17(21-20)13-22-7-9-24-10-8-22/h3-4,11-12,15,19,21H,5-10,13-14H2,1-2H3
InChIKeyNLFLOWVFKXAFDQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.86
Rot. Bonds5

About 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine

4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine (PubChem CID 142686536) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine
PubChem CID142686536
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine
SMILESCC(C)N1CCC(Oc2ccc3[nH]c(CN4CCOCC4)cc3c2)C1
InChIInChI=1S/C20H29N3O2/c1-15(2)23-6-5-19(14-23)25-18-3-4-20-16(12-18)11-17(21-20)13-22-7-9-24-10-8-22/h3-4,11-12,15,19,21H,5-10,13-14H2,1-2H3
InChIKeyNLFLOWVFKXAFDQ-UHFFFAOYSA-N
XLogP2.86
TPSA40.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine (CID 142686536) is 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine is CC(C)N1CCC(Oc2ccc3[nH]c(CN4CCOCC4)cc3c2)C1.
What is the InChIKey of 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine?
The InChIKey is NLFLOWVFKXAFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(2)23-6-5-19(14-23)25-18-3-4-20-16(12-18)11-17(21-20)13-22-7-9-24-10-8-22/h3-4,11-12,15,19,21H,5-10,13-14H2,1-2H3.
What are the key properties of 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine?
4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine has a molecular weight of 343.47 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-propan-2-ylpyrrolidin-3-yl)oxy-1H-indol-2-yl]methyl]morpholine is sourced from PubChem (CID 142686536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).