4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide

C17H21FN4O2 — CID 110086127

IUPAC4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C
InChIInChI=1S/C17H21FN4O2/c1-20(2)17(24)15-10-22(7-6-21(15)3)16(23)14-9-11-8-12(18)4-5-13(11)19-14/h4-5,8-9,15,19H,6-7,10H2,1-3H3
InChIKeyNPSHZMWJSSPBCK-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.15
Rot. Bonds2

About 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide

4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide (PubChem CID 110086127) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
PubChem CID110086127
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
SMILESCN(C)C(=O)C1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C
InChIInChI=1S/C17H21FN4O2/c1-20(2)17(24)15-10-22(7-6-21(15)3)16(23)14-9-11-8-12(18)4-5-13(11)19-14/h4-5,8-9,15,19H,6-7,10H2,1-3H3
InChIKeyNPSHZMWJSSPBCK-UHFFFAOYSA-N
XLogP1.15
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 45173722
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110104161

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide?
The IUPAC name of 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide (CID 110086127) is 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide is CN(C)C(=O)C1CN(C(=O)c2cc3cc(F)ccc3[nH]2)CCN1C.
What is the InChIKey of 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide?
The InChIKey is NPSHZMWJSSPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-20(2)17(24)15-10-22(7-6-21(15)3)16(23)14-9-11-8-12(18)4-5-13(11)19-14/h4-5,8-9,15,19H,6-7,10H2,1-3H3.
What are the key properties of 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide?
4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).