[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

C20H19F2N3O — CID 26315953

IUPAC[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H19F2N3O/c21-14-3-6-16(7-4-14)23-17-2-1-9-25(12-17)20(26)19-11-13-10-15(22)5-8-18(13)24-19/h3-8,10-11,17,23-24H,1-2,9,12H2/t17-/m0/s1
InChIKeyACLONTYXGCYVFP-KRWDZBQOSA-N
MW355.39 g/mol
LogP4.16
Rot. Bonds3

About [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone

[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (PubChem CID 26315953) has the molecular formula C20H19F2N3O and a molecular weight of 355.39 g/mol. Its IUPAC name is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
PubChem CID26315953
Molecular FormulaC20H19F2N3O
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H19F2N3O/c21-14-3-6-16(7-4-14)23-17-2-1-9-25(12-17)20(26)19-11-13-10-15(22)5-8-18(13)24-19/h3-8,10-11,17,23-24H,1-2,9,12H2/t17-/m0/s1
InChIKeyACLONTYXGCYVFP-KRWDZBQOSA-N
XLogP4.16
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(5-fluoro-1H-indol-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247628
6-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124967205
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110104161
[3-(3-fluoroanilino)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56915294
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-phenylmethanone
CID 25449307
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
2-amino-1-[3-(4-fluoroanilino)piperidin-1-yl]ethanone
CID 56883388
(2S)-1-acetyl-4-(5-fluoro-1H-indole-2-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125014734
piperidin-1-yl-[5-[(1-propan-2-ylpyrrolidin-3-yl)amino]-1H-indol-2-yl]methanone;dihydrochloride
CID 11568100
(5-fluoro-1H-indol-2-yl)-[(3R)-3-[6-methyl-4-(methylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124982715

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The IUPAC name of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone (CID 26315953) is [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone.
What is the SMILES notation for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The canonical SMILES for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](Nc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
The InChIKey is ACLONTYXGCYVFP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19F2N3O/c21-14-3-6-16(7-4-14)23-17-2-1-9-25(12-17)20(26)19-11-13-10-15(22)5-8-18(13)24-19/h3-8,10-11,17,23-24H,1-2,9,12H2/t17-/m0/s1.
What are the key properties of [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone?
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone has a molecular weight of 355.39 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone is sourced from PubChem (CID 26315953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).