2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone

C27H28N2O2 — CID 123424073

IUPAC2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone
SMILESO=C(CN1CC2CC(O)(Cc3ccccc3)CC2C1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C27H28N2O2/c30-26(22-11-9-21(10-12-22)25-8-4-5-13-28-25)19-29-17-23-15-27(31,16-24(23)18-29)14-20-6-2-1-3-7-20/h1-13,23-24,31H,14-19H2
InChIKeyRNKNXWDCZXUEBL-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.25
Rot. Bonds6

About 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone

2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone (PubChem CID 123424073) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone
PubChem CID123424073
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone
SMILESO=C(CN1CC2CC(O)(Cc3ccccc3)CC2C1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C27H28N2O2/c30-26(22-11-9-21(10-12-22)25-8-4-5-13-28-25)19-29-17-23-15-27(31,16-24(23)18-29)14-20-6-2-1-3-7-20/h1-13,23-24,31H,14-19H2
InChIKeyRNKNXWDCZXUEBL-UHFFFAOYSA-N
XLogP4.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone 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 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone?
The IUPAC name of 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone (CID 123424073) is 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone?
The canonical SMILES for 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone is O=C(CN1CC2CC(O)(Cc3ccccc3)CC2C1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone?
The InChIKey is RNKNXWDCZXUEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c30-26(22-11-9-21(10-12-22)25-8-4-5-13-28-25)19-29-17-23-15-27(31,16-24(23)18-29)14-20-6-2-1-3-7-20/h1-13,23-24,31H,14-19H2.
What are the key properties of 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone?
2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone has a molecular weight of 412.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-5-hydroxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-1-(4-pyridin-2-ylphenyl)ethanone is sourced from PubChem (CID 123424073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).