7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene

C22H25FN4O2 — CID 174432932

IUPAC7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
SMILESCCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1.Fc1ccccc1
InChIInChI=1S/C16H20N4O2.C6H5F/c1-2-19-6-8-20(9-7-19)16(22)12-5-3-4-11-13(15(17)21)10-18-14(11)12;7-6-4-2-1-3-5-6/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21);1-5H
InChIKeyFHOHFFKXZLISIV-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.87
Rot. Bonds3

About 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene

7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene (PubChem CID 174432932) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene.

Molecular Properties

Compound Name7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
PubChem CID174432932
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
SMILESCCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1.Fc1ccccc1
InChIInChI=1S/C16H20N4O2.C6H5F/c1-2-19-6-8-20(9-7-19)16(22)12-5-3-4-11-13(15(17)21)10-18-14(11)12;7-6-4-2-1-3-5-6/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21);1-5H
InChIKeyFHOHFFKXZLISIV-UHFFFAOYSA-N
XLogP2.87
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
CID 174432933
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95609549
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
(4-ethylpiperazin-1-yl)-(1H-indol-5-yl)methanone;fluorobenzene
CID 174396061
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529326
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(5-chloro-2-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 60675583
(1-benzyl-7-methoxyindol-3-yl)-(4-ethylpiperazin-1-yl)methanone
CID 59016065
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
6-(4-ethylpiperazine-1-carbonyl)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109096789

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene?
The IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene (CID 174432932) is 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene.
What is the SMILES notation for 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene?
The canonical SMILES for 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene is CCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1.Fc1ccccc1.
What is the InChIKey of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene?
The InChIKey is FHOHFFKXZLISIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C6H5F/c1-2-19-6-8-20(9-7-19)16(22)12-5-3-4-11-13(15(17)21)10-18-14(11)12;7-6-4-2-1-3-5-6/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21);1-5H.
What are the key properties of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene?
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene has a molecular weight of 396.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene is sourced from PubChem (CID 174432932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).