3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine

C21H30N4O — CID 123513008

IUPAC3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine
SMILESc1cc2c(CN3CCN(C4CCC4)CC3)c[nH]c2cc1C1COCCN1
InChIInChI=1S/C21H30N4O/c1-2-18(3-1)25-9-7-24(8-10-25)14-17-13-23-20-12-16(4-5-19(17)20)21-15-26-11-6-22-21/h4-5,12-13,18,21-23H,1-3,6-11,14-15H2
InChIKeyAGPLJUBTSHQKQY-UHFFFAOYSA-N
MW354.50 g/mol
LogP2.50
Rot. Bonds4

About 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine

3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine (PubChem CID 123513008) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine.

Molecular Properties

Compound Name3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine
PubChem CID123513008
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine
SMILESc1cc2c(CN3CCN(C4CCC4)CC3)c[nH]c2cc1C1COCCN1
InChIInChI=1S/C21H30N4O/c1-2-18(3-1)25-9-7-24(8-10-25)14-17-13-23-20-12-16(4-5-19(17)20)21-15-26-11-6-22-21/h4-5,12-13,18,21-23H,1-3,6-11,14-15H2
InChIKeyAGPLJUBTSHQKQY-UHFFFAOYSA-N
XLogP2.50
TPSA43.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine?
The IUPAC name of 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine (CID 123513008) is 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine.
What is the SMILES notation for 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine?
The canonical SMILES for 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine is c1cc2c(CN3CCN(C4CCC4)CC3)c[nH]c2cc1C1COCCN1.
What is the InChIKey of 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine?
The InChIKey is AGPLJUBTSHQKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-2-18(3-1)25-9-7-24(8-10-25)14-17-13-23-20-12-16(4-5-19(17)20)21-15-26-11-6-22-21/h4-5,12-13,18,21-23H,1-3,6-11,14-15H2.
What are the key properties of 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine?
3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine has a molecular weight of 354.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-cyclobutylpiperazin-1-yl)methyl]-1H-indol-6-yl]morpholine is sourced from PubChem (CID 123513008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).