3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

C20H23FN2O2 — CID 71695894

IUPAC3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H23FN2O2/c21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14/h1-3,11-12,14-15,22,25H,4-10H2
InChIKeyCNHQBEWVIOYKIZ-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.14
Rot. Bonds3

About 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one

3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (PubChem CID 71695894) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
PubChem CID71695894
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2
InChIInChI=1S/C20H23FN2O2/c21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14/h1-3,11-12,14-15,22,25H,4-10H2
InChIKeyCNHQBEWVIOYKIZ-UHFFFAOYSA-N
XLogP3.14
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-N-[(1-benzyl-4-fluoroindol-3-yl)methyl]-N-cyclopropyl-4-(3,4-difluorophenyl)-4-hydroxypiperidine-3-carboxamide
CID 57393727
(3S,4R)-N-cyclopropyl-4-(3,4-difluorophenyl)-N-[(4-fluoro-1H-indol-3-yl)methyl]-4-hydroxypiperidine-3-carboxamide
CID 57397294
2-[[2-(4-fluorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 16327462
(S,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 11548199
2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 11591776
(E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,5-difluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 11605867
(E)-2-(4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 11671120
(E)-2-(4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 11699541
(E)-2-(4-(5-amino-1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 23656430
(R,E)-2-(4-(1H-indol-3-yl)piperidin-1-yl)-2-(1-(3-(3,4,5-trifluorophenyl)acryloyl)piperidin-4-yl)acetic acid
CID 23656585
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indole-5-carboxamide
CID 164621461
N-{[1-(tert-butoxycarbonyl)piperidin-4-yl]carbonyl}-L-tryptophan
CID 7633313

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The IUPAC name of 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (CID 71695894) is 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.
What is the SMILES notation for 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The canonical SMILES for 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is O=C(CCc1c[nH]c2cccc(F)c12)N1C2CC3CC1CC(O)(C3)C2.
What is the InChIKey of 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
The InChIKey is CNHQBEWVIOYKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-16-2-1-3-17-19(16)13(11-22-17)4-5-18(24)23-14-6-12-7-15(23)10-20(25,8-12)9-14/h1-3,11-12,14-15,22,25H,4-10H2.
What are the key properties of 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one?
3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one has a molecular weight of 342.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is sourced from PubChem (CID 71695894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).