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

C21H30N4O2 — CID 24783527

IUPAC[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)c[nH]c3c2)CC1
InChIInChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-19-18(14-22-20(19)13-17)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3
InChIKeyDVMOGWUYRLHLIX-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.17
Rot. Bonds4

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

[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 24783527) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID24783527
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)c[nH]c3c2)CC1
InChIInChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-19-18(14-22-20(19)13-17)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3
InChIKeyDVMOGWUYRLHLIX-UHFFFAOYSA-N
XLogP2.17
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 24783527) is [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)c2ccc3c(CN4CCOCC4)c[nH]c3c2)CC1.
What is the InChIKey of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is DVMOGWUYRLHLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16(2)24-5-7-25(8-6-24)21(26)17-3-4-19-18(14-22-20(19)13-17)15-23-9-11-27-12-10-23/h3-4,13-14,16,22H,5-12,15H2,1-2H3.
What are the key properties of [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 370.50 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylmethyl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 24783527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).