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

C16H20N4O2 — CID 174432933

IUPAC7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
SMILESCCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1
InChIInChI=1S/C16H20N4O2/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/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21)
InChIKeyIZXGFSCZXNDJLZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.04
Rot. Bonds3

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

7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide (PubChem CID 174432933) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
PubChem CID174432933
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide
SMILESCCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1
InChIInChI=1S/C16H20N4O2/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/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21)
InChIKeyIZXGFSCZXNDJLZ-UHFFFAOYSA-N
XLogP1.04
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide;fluorobenzene
CID 174432932
4-(4-ethylpiperazine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110701165
(7-ethyl-1H-indol-3-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95609549
[2-(aminomethyl)phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 82546965
(4-ethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 110690985
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110849938
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
(4-ethylpiperazin-1-yl)-(1,2,3,4-tetrahydroquinolin-5-yl)methanone
CID 62849515
(2,3-dimethyl-1H-indol-7-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 72848556
(4-methoxybenzoyl) 3-carbamoyl-1H-indole-7-carboxylate
CID 175235931

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide?
The IUPAC name of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide (CID 174432933) is 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide?
The canonical SMILES for 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide is CCN1CCN(C(=O)c2cccc3c(C(N)=O)c[nH]c23)CC1.
What is the InChIKey of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide?
The InChIKey is IZXGFSCZXNDJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/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/h3-5,10,18H,2,6-9H2,1H3,(H2,17,21).
What are the key properties of 7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide?
7-(4-ethylpiperazine-1-carbonyl)-1H-indole-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.04, 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 is sourced from PubChem (CID 174432933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).