[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

C24H32N2O2 — CID 57456467

IUPAC[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(ccn3CC3CCCO3)c2)C1
InChIInChI=1S/C24H32N2O2/c1-23(2)12-19-13-24(3,15-23)16-26(19)22(27)18-6-7-21-17(11-18)8-9-25(21)14-20-5-4-10-28-20/h6-9,11,19-20H,4-5,10,12-16H2,1-3H3
InChIKeyNSKXYDRKDPRQRI-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.86
Rot. Bonds3

About [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (PubChem CID 57456467) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.

Molecular Properties

Compound Name[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
PubChem CID57456467
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(ccn3CC3CCCO3)c2)C1
InChIInChI=1S/C24H32N2O2/c1-23(2)12-19-13-24(3,15-23)16-26(19)22(27)18-6-7-21-17(11-18)8-9-25(21)14-20-5-4-10-28-20/h6-9,11,19-20H,4-5,10,12-16H2,1-3H3
InChIKeyNSKXYDRKDPRQRI-UHFFFAOYSA-N
XLogP4.86
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The IUPAC name of [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone (CID 57456467) is [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone.
What is the SMILES notation for [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The canonical SMILES for [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is CC1(C)CC2CC(C)(CN2C(=O)c2ccc3c(ccn3CC3CCCO3)c2)C1.
What is the InChIKey of [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
The InChIKey is NSKXYDRKDPRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-23(2)12-19-13-24(3,15-23)16-26(19)22(27)18-6-7-21-17(11-18)8-9-25(21)14-20-5-4-10-28-20/h6-9,11,19-20H,4-5,10,12-16H2,1-3H3.
What are the key properties of [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone?
[1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone has a molecular weight of 380.53 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxolan-2-ylmethyl)indol-5-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone is sourced from PubChem (CID 57456467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).