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

C17H21FN2O2 — CID 156601753

IUPAC4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide
SMILESCN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C17H21FN2O2/c1-20-14-3-2-9-17(14,10-8-15(20)21)11-19-16(22)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyLWFIUSOACAASOT-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.35
Rot. Bonds3

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

4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide (PubChem CID 156601753) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide
PubChem CID156601753
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide
SMILESCN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C17H21FN2O2/c1-20-14-3-2-9-17(14,10-8-15(20)21)11-19-16(22)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,22)
InChIKeyLWFIUSOACAASOT-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

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CID 20754800
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1-[4-(4-Fluorophenyl)-4-oxobutyl]-4-benzamidopiperidine
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N-(1-benzylpiperidin-4-yl)-4-fluorobenzamide
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N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
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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 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide (CID 156601753) is 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide is CN1C(=O)CCC2(CNC(=O)c3ccc(F)cc3)CCCC12.
What is the InChIKey of 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide?
The InChIKey is LWFIUSOACAASOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-20-14-3-2-9-17(14,10-8-15(20)21)11-19-16(22)12-4-6-13(18)7-5-12/h4-7,14H,2-3,8-11H2,1H3,(H,19,22).
What are the key properties of 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide?
4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide has a molecular weight of 304.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1-methyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]benzamide is sourced from PubChem (CID 156601753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).