N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide

C18H23FN2O2 — CID 156602346

IUPACN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide
SMILESCCN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C18H23FN2O2/c1-2-21-15-4-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,20,23)
InChIKeyLYQDMLVSTSWSSB-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.74
Rot. Bonds4

About N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide

N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide (PubChem CID 156602346) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide
PubChem CID156602346
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide
SMILESCCN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C18H23FN2O2/c1-2-21-15-4-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,20,23)
InChIKeyLYQDMLVSTSWSSB-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide with MolForge

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Related Compounds

N-(1-Acetylpiperidin-4-yl)benzamide
CID 20754800
2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 744755
1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-benzamidopiperidine
CID 215909
N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide
CID 702501
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methyl-3-oxo-1H-isoindole-4-carboxamide
CID 49871952
2-fluoro-N-{3-[(2-fluorobenzoyl)amino]-2,2-dimethylpropyl}benzamide
CID 1745986
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 2728078
2-Fluoro-N-(9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
CID 644833
4-Fluoro-N-(9-propyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide
CID 652732
N-cycloheptyl-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019024
N-(1-((4S)-4-(cyclobutanecarboxamido)-4-phenylbutan-2-yl)piperidin-4-yl)-N-ethyl-4-fluorobenzamide
CID 44590799

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide (CID 156602346) is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide is CCN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12.
What is the InChIKey of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide?
The InChIKey is LYQDMLVSTSWSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-21-15-4-3-10-18(15,11-9-16(21)22)12-20-17(23)13-5-7-14(19)8-6-13/h5-8,15H,2-4,9-12H2,1H3,(H,20,23).
What are the key properties of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide?
N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide has a molecular weight of 318.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 156602346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).