(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

C18H19FN4O — CID 110104161

IUPAC(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH]1
InChIInChI=1S/C18H19FN4O/c1-11-9-20-17(21-11)12-3-2-6-23(10-12)18(24)16-8-13-7-14(19)4-5-15(13)22-16/h4-5,7-9,12,22H,2-3,6,10H2,1H3,(H,20,21)
InChIKeyYFJYUTVSUKHNKB-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.36
Rot. Bonds2

About (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone

(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110104161) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID110104161
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cnc(C2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH]1
InChIInChI=1S/C18H19FN4O/c1-11-9-20-17(21-11)12-3-2-6-23(10-12)18(24)16-8-13-7-14(19)4-5-15(13)22-16/h4-5,7-9,12,22H,2-3,6,10H2,1H3,(H,20,21)
InChIKeyYFJYUTVSUKHNKB-UHFFFAOYSA-N
XLogP3.36
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-difluorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125011983
(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
[(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 26315953
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)piperidin-1-yl]methanone
CID 92608930
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105506
(5-fluoro-1H-indol-2-yl)-[(3R)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 24764568
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 125006215
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124972419
2-(3-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103996
2-(3-fluorophenyl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124998243
ethyl 4-[(3R)-1-(5-fluoro-1H-indole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 42239803

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 110104161) is (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1cnc(C2CCCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)[nH]1.
What is the InChIKey of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is YFJYUTVSUKHNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-9-20-17(21-11)12-3-2-6-23(10-12)18(24)16-8-13-7-14(19)4-5-15(13)22-16/h4-5,7-9,12,22H,2-3,6,10H2,1H3,(H,20,21).
What are the key properties of (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone?
(5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 326.38 g/mol, XLogP of 3.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-2-yl)-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110104161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).