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

C23H30N2O2 — CID 71696018

IUPAC1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C23H30N2O2/c1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16/h3-6,13-17,19,24,27H,7-12H2,1-2H3
InChIKeyRGLPZLPOMVAEIT-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.20
Rot. Bonds4

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

1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one (PubChem CID 71696018) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
PubChem CID71696018
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one
SMILESCC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12
InChIInChI=1S/C23H30N2O2/c1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16/h3-6,13-17,19,24,27H,7-12H2,1-2H3
InChIKeyRGLPZLPOMVAEIT-UHFFFAOYSA-N
XLogP4.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one (CID 71696018) is 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one is CC(C)C(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
The InChIKey is RGLPZLPOMVAEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-14(2)19(20-13-24-21-6-4-3-5-18(20)21)9-22(26)25-16-7-15-8-17(25)12-23(27,10-15)11-16/h3-6,13-17,19,24,27H,7-12H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one?
1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(1H-indol-3-yl)-4-methylpentan-1-one is sourced from PubChem (CID 71696018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).