4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide

C17H21FN4O2 — CID 110086124

IUPAC4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1C(N)=O
InChIInChI=1S/C17H21FN4O2/c1-10(2)22-6-5-21(9-15(22)16(19)23)17(24)14-8-11-7-12(18)3-4-13(11)20-14/h3-4,7-8,10,15,20H,5-6,9H2,1-2H3,(H2,19,23)
InChIKeyDFEVOUPMNRLBIS-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.33
Rot. Bonds3

About 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide

4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 110086124) 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)-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
PubChem CID110086124
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
SMILESCC(C)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1C(N)=O
InChIInChI=1S/C17H21FN4O2/c1-10(2)22-6-5-21(9-15(22)16(19)23)17(24)14-8-11-7-12(18)3-4-13(11)20-14/h3-4,7-8,10,15,20H,5-6,9H2,1-2H3,(H2,19,23)
InChIKeyDFEVOUPMNRLBIS-UHFFFAOYSA-N
XLogP1.33
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(4-fluorobenzoyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 125016909
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
4-(5-fluoro-1H-indole-2-carbonyl)-N,N,1-trimethylpiperazine-2-carboxamide
CID 110086127
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
2-[4-(5-fluoro-1H-indole-2-carbonyl)morpholin-2-yl]acetic acid
CID 119248354
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 138000726
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 42190289

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide?
The IUPAC name of 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide (CID 110086124) is 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide?
The canonical SMILES for 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1C(N)=O.
What is the InChIKey of 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide?
The InChIKey is DFEVOUPMNRLBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-10(2)22-6-5-21(9-15(22)16(19)23)17(24)14-8-11-7-12(18)3-4-13(11)20-14/h3-4,7-8,10,15,20H,5-6,9H2,1-2H3,(H2,19,23).
What are the key properties of 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide?
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 110086124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).