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

C18H23FN2O2 — CID 135090394

IUPACN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(F)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C18H23FN2O2/c1-21(16-8-13-10-17(22)20-11-14(13)9-16)18(23)6-5-12-3-2-4-15(19)7-12/h2-4,7,13-14,16H,5-6,8-11H2,1H3,(H,20,22)/t13-,14+,16-/m1/s1
InChIKeySNKHOWATICITME-IJEWVQPXSA-N
MW318.39 g/mol
LogP2.13
Rot. Bonds4

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

N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide (PubChem CID 135090394) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 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]-3-(3-fluorophenyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
PubChem CID135090394
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide
SMILESCN(C(=O)CCc1cccc(F)c1)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1
InChIInChI=1S/C18H23FN2O2/c1-21(16-8-13-10-17(22)20-11-14(13)9-16)18(23)6-5-12-3-2-4-15(19)7-12/h2-4,7,13-14,16H,5-6,8-11H2,1H3,(H,20,22)/t13-,14+,16-/m1/s1
InChIKeySNKHOWATICITME-IJEWVQPXSA-N
XLogP2.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.13
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]-3-(3-fluorophenyl)-N-methylpropanamide with MolForge

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Related Compounds

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-[(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]-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-methylacetamide
CID 135099867
N-[(3aS,6aR)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-3-(3-chlorophenyl)-N-methylpropanamide
CID 134704943
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-(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]-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-diphenylacetamide
CID 135100334
N-[(1R)-1-cyclopropylethyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 51983037
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-2-phenylmethoxybenzamide
CID 135113679
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416

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]-3-(3-fluorophenyl)-N-methylpropanamide?
The IUPAC name of N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide (CID 135090394) is N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide.
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]-3-(3-fluorophenyl)-N-methylpropanamide?
The canonical SMILES for N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide is CN(C(=O)CCc1cccc(F)c1)[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]-3-(3-fluorophenyl)-N-methylpropanamide?
The InChIKey is SNKHOWATICITME-IJEWVQPXSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-21(16-8-13-10-17(22)20-11-14(13)9-16)18(23)6-5-12-3-2-4-15(19)7-12/h2-4,7,13-14,16H,5-6,8-11H2,1H3,(H,20,22)/t13-,14+,16-/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]-3-(3-fluorophenyl)-N-methylpropanamide?
N-[(4aR,6R,7aR)-3-oxo-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-yl]-3-(3-fluorophenyl)-N-methylpropanamide has a molecular weight of 318.39 g/mol, XLogP of 2.13, 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]-3-(3-fluorophenyl)-N-methylpropanamide is sourced from PubChem (CID 135090394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).