N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide

C19H26FN3O2 — CID 50952630

IUPACN-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide
SMILESCN1CCC2(CC1)CCN(C(=O)CCC(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C19H26FN3O2/c1-22-10-7-19(8-11-22)9-12-23(14-19)18(25)6-5-17(24)21-16-4-2-3-15(20)13-16/h2-4,13H,5-12,14H2,1H3,(H,21,24)
InChIKeyATHCSLFSCLYCFZ-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.49
Rot. Bonds4

About N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide

N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide (PubChem CID 50952630) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide
PubChem CID50952630
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide
SMILESCN1CCC2(CC1)CCN(C(=O)CCC(=O)Nc1cccc(F)c1)C2
InChIInChI=1S/C19H26FN3O2/c1-22-10-7-19(8-11-22)9-12-23(14-19)18(25)6-5-17(24)21-16-4-2-3-15(20)13-16/h2-4,13H,5-12,14H2,1H3,(H,21,24)
InChIKeyATHCSLFSCLYCFZ-UHFFFAOYSA-N
XLogP2.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 120980407
phenyl 2-[(3-fluorophenyl)carbamoyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 3234315
3-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]amino]-N-(3-fluorophenyl)benzamide
CID 55888504
3-(4-ethynyl-4-hydroxypiperidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 126824314
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
1-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-(3-fluorophenyl)urea
CID 61123946
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
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3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
(2R,3R)-N-(3-fluorophenyl)-5-(3-phenylpropanoyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97396709
5-fluoro-N-(3-fluorophenyl)-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23856682
N-(3-fluorophenyl)-4-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-oxobutanamide
CID 172665012

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The IUPAC name of N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide (CID 50952630) is N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The canonical SMILES for N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide is CN1CCC2(CC1)CCN(C(=O)CCC(=O)Nc1cccc(F)c1)C2.
What is the InChIKey of N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide?
The InChIKey is ATHCSLFSCLYCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-22-10-7-19(8-11-22)9-12-23(14-19)18(25)6-5-17(24)21-16-4-2-3-15(20)13-16/h2-4,13H,5-12,14H2,1H3,(H,21,24).
What are the key properties of N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide?
N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide has a molecular weight of 347.43 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-4-oxobutanamide is sourced from PubChem (CID 50952630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).