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

C19H25FN2O2 — CID 156601719

IUPACN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide
SMILESCCN1C(=O)CCC2(CN(C)C(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C19H25FN2O2/c1-3-22-16-5-4-11-19(16,12-10-17(22)23)13-21(2)18(24)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyILYPTSIRZIXIAG-UHFFFAOYSA-N
MW332.42 g/mol
LogP3.08
Rot. Bonds4

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

N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide (PubChem CID 156601719) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide
PubChem CID156601719
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC NameN-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide
SMILESCCN1C(=O)CCC2(CN(C)C(=O)c3ccc(F)cc3)CCCC12
InChIInChI=1S/C19H25FN2O2/c1-3-22-16-5-4-11-19(16,12-10-17(22)23)13-21(2)18(24)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3
InChIKeyILYPTSIRZIXIAG-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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Related Compounds

(2-Fluorophenyl)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]methanone
CID 754219
1-(3-Fluorobenzoyl)-4-(3-methylbutanoyl)piperazine
CID 704283
2-(1-cyclohexylpiperidin-4-yl)-6-fluoro-1-methyl-3-oxo-1H-isoindole-4-carboxamide
CID 49871952
8-Benzoyl-2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168288159
[4-(Azepan-1-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 660928
(3-Fluorophenyl)-(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3233481
N-[(3-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 168272742
1-[4-(4-Fluorobenzoyl)piperazin-1-yl]-3-methylbutan-1-one
CID 776697
2-Fluoro-N-methyl-N-(1-methyl-piperidin-4-yl)-benzamide
CID 23724363
2-fluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 709342
Benzamide, N-(1-acetyl-4-piperidinyl)-4-fluoro-
CID 9816738
2-(1-cyclopentylpiperidin-4-yl)-1-methyl-3-oxo-1H-isoindole-4-carboxamide
CID 67200134

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-fluoro-N-methylbenzamide?
The IUPAC name of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide (CID 156601719) is N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide is CCN1C(=O)CCC2(CN(C)C(=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-fluoro-N-methylbenzamide?
The InChIKey is ILYPTSIRZIXIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-3-22-16-5-4-11-19(16,12-10-17(22)23)13-21(2)18(24)14-6-8-15(20)9-7-14/h6-9,16H,3-5,10-13H2,1-2H3.
What are the key properties of N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide?
N-[(1-ethyl-2-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4a-yl)methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 332.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 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-fluoro-N-methylbenzamide is sourced from PubChem (CID 156601719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).