3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide

C19H22FN3O3 — CID 95179362

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3/c20-13-5-3-4-12(10-13)14-11-15(14)21-16(24)6-9-23-17(25)19(22-18(23)26)7-1-2-8-19/h3-5,10,14-15H,1-2,6-9,11H2,(H,21,24)(H,22,26)/t14-,15-/m1/s1
InChIKeyZJLKZDRJOMMULK-HUUCEWRRSA-N
MW359.40 g/mol
LogP2.05
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide (PubChem CID 95179362) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
PubChem CID95179362
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide
SMILESO=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H22FN3O3/c20-13-5-3-4-12(10-13)14-11-15(14)21-16(24)6-9-23-17(25)19(22-18(23)26)7-1-2-8-19/h3-5,10,14-15H,1-2,6-9,11H2,(H,21,24)(H,22,26)/t14-,15-/m1/s1
InChIKeyZJLKZDRJOMMULK-HUUCEWRRSA-N
XLogP2.05
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 32609722
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 41291477
N-cycloheptyl-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 17409825
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 119610181
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
CID 17480205
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-(3-fluorophenyl)propanamide
CID 43048068
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
N-(2-adamantyl)-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 17462541
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119601938
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
1-[[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 129380118
2-[3-[[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]amino]-3-oxopropyl]benzoic acid
CID 120613723

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide (CID 95179362) is 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide is O=C(CCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1C[C@@H]1c1cccc(F)c1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide?
The InChIKey is ZJLKZDRJOMMULK-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22FN3O3/c20-13-5-3-4-12(10-13)14-11-15(14)21-16(24)6-9-23-17(25)19(22-18(23)26)7-1-2-8-19/h3-5,10,14-15H,1-2,6-9,11H2,(H,21,24)(H,22,26)/t14-,15-/m1/s1.
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide has a molecular weight of 359.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]propanamide is sourced from PubChem (CID 95179362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).