1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one

C20H23FN2O — CID 71695895

IUPAC1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H23FN2O/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12/h2-3,10-13,16-17,22H,1,4-9H2
InChIKeyQBNMFIZVGPLTAW-UHFFFAOYSA-N
MW326.41 g/mol
LogP4.03
Rot. Bonds3

About 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one (PubChem CID 71695895) has the molecular formula C20H23FN2O and a molecular weight of 326.41 g/mol. Its IUPAC name is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one
PubChem CID71695895
Molecular FormulaC20H23FN2O
Molecular Weight326.41 g/mol
Exact Mass326.18
IUPAC Name1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H23FN2O/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12/h2-3,10-13,16-17,22H,1,4-9H2
InChIKeyQBNMFIZVGPLTAW-UHFFFAOYSA-N
XLogP4.03
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen
CID 145258256
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
3-[2-(azetidin-1-yl)ethyl]-6-fluoro-1H-indole
CID 169286676
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119706148
2-(6-fluoro-1H-indol-3-yl)-N-piperidin-4-ylacetamide
CID 138004293
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
6-fluoro-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole
CID 144581327

Frequently Asked Questions

What is the IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one (CID 71695895) is 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2cc(F)ccc12)N1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one?
The InChIKey is QBNMFIZVGPLTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c21-15-2-3-18-14(11-22-19(18)10-15)1-4-20(24)23-16-6-12-5-13(8-16)9-17(23)7-12/h2-3,10-13,16-17,22H,1,4-9H2.
What are the key properties of 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one?
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one has a molecular weight of 326.41 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 71695895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).