(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone

C22H30N4O2 — CID 25061410

IUPAC(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H30N4O2/c27-22(26-8-6-25(7-9-26)19-2-1-3-19)17-4-5-20-18(15-23-21(20)14-17)16-24-10-12-28-13-11-24/h4-5,14-15,19,23H,1-3,6-13,16H2
InChIKeyUMCSWOFKQMGQSD-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.31
Rot. Bonds4

About (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone

(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone (PubChem CID 25061410) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
PubChem CID25061410
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H30N4O2/c27-22(26-8-6-25(7-9-26)19-2-1-3-19)17-4-5-20-18(15-23-21(20)14-17)16-24-10-12-28-13-11-24/h4-5,14-15,19,23H,1-3,6-13,16H2
InChIKeyUMCSWOFKQMGQSD-UHFFFAOYSA-N
XLogP2.31
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The IUPAC name of (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone (CID 25061410) is (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone.
What is the SMILES notation for (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The canonical SMILES for (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone is O=C(c1ccc2c(CN3CCOCC3)c[nH]c2c1)N1CCN(C2CCC2)CC1.
What is the InChIKey of (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
The InChIKey is UMCSWOFKQMGQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c27-22(26-8-6-25(7-9-26)19-2-1-3-19)17-4-5-20-18(15-23-21(20)14-17)16-24-10-12-28-13-11-24/h4-5,14-15,19,23H,1-3,6-13,16H2.
What are the key properties of (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone?
(4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone has a molecular weight of 382.51 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 25061410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).