(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone

C17H23N3O — CID 64978238

IUPAC(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cccc3[nH]ccc23)C(CC)CN1
InChIInChI=1S/C17H23N3O/c1-3-12-11-20(13(4-2)10-19-12)17(21)15-6-5-7-16-14(15)8-9-18-16/h5-9,12-13,18-19H,3-4,10-11H2,1-2H3
InChIKeySIJYEYBQXJBRFS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.77
Rot. Bonds3

About (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone

(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone (PubChem CID 64978238) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
PubChem CID64978238
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone
SMILESCCC1CN(C(=O)c2cccc3[nH]ccc23)C(CC)CN1
InChIInChI=1S/C17H23N3O/c1-3-12-11-20(13(4-2)10-19-12)17(21)15-6-5-7-16-14(15)8-9-18-16/h5-9,12-13,18-19H,3-4,10-11H2,1-2H3
InChIKeySIJYEYBQXJBRFS-UHFFFAOYSA-N
XLogP2.77
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-diethylpiperazin-1-yl)-(1H-indol-6-yl)methanone
CID 64978198
(2-ethylazepan-1-yl)-(1H-indol-4-yl)methanone
CID 115672309
(2,5-diethylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 64977938
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
(2,5-diethylpiperazin-1-yl)-(4-iodophenyl)methanone
CID 64978233
(5-bromo-2-hydroxyphenyl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107729955
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-4-yl)methanone
CID 116635844
(2,5-dichlorothiophen-3-yl)-(2,5-diethylpiperazin-1-yl)methanone
CID 107963586
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
(2-ethylmorpholin-4-yl)-(1H-indol-4-yl)methanone
CID 43582924
(2,5-diethylpiperazin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 64978414
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone?
The IUPAC name of (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone (CID 64978238) is (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone.
What is the SMILES notation for (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone?
The canonical SMILES for (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone is CCC1CN(C(=O)c2cccc3[nH]ccc23)C(CC)CN1.
What is the InChIKey of (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone?
The InChIKey is SIJYEYBQXJBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-12-11-20(13(4-2)10-19-12)17(21)15-6-5-7-16-14(15)8-9-18-16/h5-9,12-13,18-19H,3-4,10-11H2,1-2H3.
What are the key properties of (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone?
(2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone has a molecular weight of 285.39 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylpiperazin-1-yl)-(1H-indol-4-yl)methanone is sourced from PubChem (CID 64978238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).