N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide

C23H26N2O2 — CID 135100334

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C23H26N2O2/c1-25(20-12-18-14-21(26)24-15-19(18)13-20)23(27)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3,(H,24,26)/t18-,19+,20-/m1/s1
InChIKeyPIHFXUPSPFLLBI-HSALFYBXSA-N
MW362.47 g/mol
LogP3.19
Rot. Bonds4

About N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide (PubChem CID 135100334) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
PubChem CID135100334
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide
SMILESCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C23H26N2O2/c1-25(20-12-18-14-21(26)24-15-19(18)13-20)23(27)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3,(H,24,26)/t18-,19+,20-/m1/s1
InChIKeyPIHFXUPSPFLLBI-HSALFYBXSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 135100337
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-phenylmethoxybenzamide
CID 135113679
N-[(4aS,6S,7aS)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-naphthalen-2-ylacetamide
CID 163306021
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 135101331
2-[[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-methylamino]-N-(2-phenylethyl)acetamide
CID 135102952
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-4-[methyl(methylsulfonyl)amino]benzamide
CID 135115784
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-fluoro-3-hydroxy-N-methylbenzamide
CID 135099417
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2-(2,3,6-trimethylphenoxy)acetamide
CID 135109820
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-2-(2,3-dimethylphenoxy)-N,2-dimethylpropanamide
CID 135090320
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 135106919
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-5-chloro-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 135112274
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide (CID 135100334) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide.
What is the SMILES notation for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide is CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1.
What is the InChIKey of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide?
The InChIKey is PIHFXUPSPFLLBI-HSALFYBXSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-25(20-12-18-14-21(26)24-15-19(18)13-20)23(27)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20,22H,12-15H2,1H3,(H,24,26)/t18-,19+,20-/m1/s1.
What are the key properties of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide has a molecular weight of 362.47 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-N-methyl-2,2-diphenylacetamide is sourced from PubChem (CID 135100334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).