[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C22H32N4O2 — CID 25061412

IUPAC[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1
InChIInChI=1S/C22H32N4O2/c1-17(2)25-6-8-26(9-7-25)22(27)18-4-5-20-19(15-23(3)21(20)14-18)16-24-10-12-28-13-11-24/h4-5,14-15,17H,6-13,16H2,1-3H3
InChIKeyZKTOKPGIVUSURB-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.18
Rot. Bonds4

About [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 25061412) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID25061412
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1
InChIInChI=1S/C22H32N4O2/c1-17(2)25-6-8-26(9-7-25)22(27)18-4-5-20-19(15-23(3)21(20)14-18)16-24-10-12-28-13-11-24/h4-5,14-15,17H,6-13,16H2,1-3H3
InChIKeyZKTOKPGIVUSURB-UHFFFAOYSA-N
XLogP2.18
TPSA40.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 25061412) is [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)cn(C)c3c2)CC1.
What is the InChIKey of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZKTOKPGIVUSURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-17(2)25-6-8-26(9-7-25)22(27)18-4-5-20-19(15-23(3)21(20)14-18)16-24-10-12-28-13-11-24/h4-5,14-15,17H,6-13,16H2,1-3H3.
What are the key properties of [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 384.52 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(morpholin-4-ylmethyl)indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 25061412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).