[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone

C21H22FN3O — CID 24794042

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)cc2ccccc21
InChIInChI=1S/C21H22FN3O/c1-24-19-7-3-2-5-15(19)13-20(24)21(26)25-12-4-6-18(14-25)23-17-10-8-16(22)9-11-17/h2-3,5,7-11,13,18,23H,4,6,12,14H2,1H3
InChIKeyUMVQMVJTFVIUCT-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.03
Rot. Bonds3

About [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone

[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 24794042) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID24794042
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCn1c(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)cc2ccccc21
InChIInChI=1S/C21H22FN3O/c1-24-19-7-3-2-5-15(19)13-20(24)21(26)25-12-4-6-18(14-25)23-17-10-8-16(22)9-11-17/h2-3,5,7-11,13,18,23H,4,6,12,14H2,1H3
InChIKeyUMVQMVJTFVIUCT-UHFFFAOYSA-N
XLogP4.03
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone (CID 24794042) is [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)cc2ccccc21.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is UMVQMVJTFVIUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-19-7-3-2-5-15(19)13-20(24)21(26)25-12-4-6-18(14-25)23-17-10-8-16(22)9-11-17/h2-3,5,7-11,13,18,23H,4,6,12,14H2,1H3.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 351.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 24794042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).