(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C17H22FN3O — CID 134034137

IUPAC(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3
InChIKeyFRNHCQWVGJTHRK-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.72
Rot. Bonds3

About (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 134034137) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID134034137
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C17H22FN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3
InChIKeyFRNHCQWVGJTHRK-UHFFFAOYSA-N
XLogP2.72
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
4-(5-fluoro-1H-indole-2-carbonyl)-1-propan-2-ylpiperazine-2-carboxamide
CID 110086124
(5-fluoro-2-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 79882938
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(2-bromo-4-fluorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60698441
[3-(difluoromethoxy)phenyl]-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 25485334
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 138000726
[4-(2,2-dimethoxyethyl)piperazin-1-yl]-(1H-indol-2-yl)methanone
CID 167764803
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 134034137) is (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is FRNHCQWVGJTHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-12(2)11-20-5-7-21(8-6-20)17(22)16-10-13-9-14(18)3-4-15(13)19-16/h3-4,9-10,12,19H,5-8,11H2,1-2H3.
What are the key properties of (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 303.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 134034137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).