3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one

C24H32N4O2 — CID 154565979

IUPAC3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2[C@@H]3CC[C@H]2CC2(C3)CN(Cc3cccc4[nH]ccc34)CCO2)C1=O
InChIInChI=1S/C24H32N4O2/c1-26-10-8-22(23(26)29)28-18-5-6-19(28)14-24(13-18)16-27(11-12-30-24)15-17-3-2-4-21-20(17)7-9-25-21/h2-4,7,9,18-19,22,25H,5-6,8,10-16H2,1H3/t18-,19+,22?,24?
InChIKeyPPKCXKHHXDHEMA-WABOPAKDSA-N
MW408.55 g/mol
LogP2.60
Rot. Bonds3

About 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one

3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one (PubChem CID 154565979) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one
PubChem CID154565979
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one
SMILESCN1CCC(N2[C@@H]3CC[C@H]2CC2(C3)CN(Cc3cccc4[nH]ccc34)CCO2)C1=O
InChIInChI=1S/C24H32N4O2/c1-26-10-8-22(23(26)29)28-18-5-6-19(28)14-24(13-18)16-27(11-12-30-24)15-17-3-2-4-21-20(17)7-9-25-21/h2-4,7,9,18-19,22,25H,5-6,8,10-16H2,1H3/t18-,19+,22?,24?
InChIKeyPPKCXKHHXDHEMA-WABOPAKDSA-N
XLogP2.60
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one (CID 154565979) is 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one is CN1CCC(N2[C@@H]3CC[C@H]2CC2(C3)CN(Cc3cccc4[nH]ccc34)CCO2)C1=O.
What is the InChIKey of 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one?
The InChIKey is PPKCXKHHXDHEMA-WABOPAKDSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-26-10-8-22(23(26)29)28-18-5-6-19(28)14-24(13-18)16-27(11-12-30-24)15-17-3-2-4-21-20(17)7-9-25-21/h2-4,7,9,18-19,22,25H,5-6,8,10-16H2,1H3/t18-,19+,22?,24?.
What are the key properties of 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one?
3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one has a molecular weight of 408.55 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-4'-(1H-indol-4-ylmethyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-morpholine]-8-yl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 154565979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).