2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone

C20H28N4O2 — CID 113073681

IUPAC2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C20H28N4O2/c25-20(15-17-16-21-19-4-2-1-3-18(17)19)24-9-7-22(8-10-24)5-6-23-11-13-26-14-12-23/h1-4,16,21H,5-15H2
InChIKeyLCVUQPCRYKRFFG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.19
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone (PubChem CID 113073681) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
PubChem CID113073681
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C20H28N4O2/c25-20(15-17-16-21-19-4-2-1-3-18(17)19)24-9-7-22(8-10-24)5-6-23-11-13-26-14-12-23/h1-4,16,21H,5-15H2
InChIKeyLCVUQPCRYKRFFG-UHFFFAOYSA-N
XLogP1.19
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
2-(1H-indol-3-yl)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanone
CID 56789126
3-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-1-phenylpropan-1-one
CID 110398604
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
2-(1H-indol-3-yl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 31328068
2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 78793992
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethoxy)acetamide
CID 110642768
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 90561493
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone (CID 113073681) is 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is LCVUQPCRYKRFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-20(15-17-16-21-19-4-2-1-3-18(17)19)24-9-7-22(8-10-24)5-6-23-11-13-26-14-12-23/h1-4,16,21H,5-15H2.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 356.47 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 113073681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).