3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C21H27ClN4O4 — CID 51965035

IUPAC3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H27ClN4O4/c22-16-6-4-15(5-7-16)17-14-25(12-13-30-17)11-8-18(27)24-26-19(28)21(23-20(26)29)9-2-1-3-10-21/h4-7,17H,1-3,8-14H2,(H,23,29)(H,24,27)/t17-/m1/s1
InChIKeyHRMCFXKERDZAAO-QGZVFWFLSA-N
MW434.92 g/mol
LogP2.39
Rot. Bonds5

About 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 51965035) has the molecular formula C21H27ClN4O4 and a molecular weight of 434.92 g/mol. Its IUPAC name is 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID51965035
Molecular FormulaC21H27ClN4O4
Molecular Weight434.92 g/mol
Exact Mass434.17
IUPAC Name3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C21H27ClN4O4/c22-16-6-4-15(5-7-16)17-14-25(12-13-30-17)11-8-18(27)24-26-19(28)21(23-20(26)29)9-2-1-3-10-21/h4-7,17H,1-3,8-14H2,(H,23,29)(H,24,27)/t17-/m1/s1
InChIKeyHRMCFXKERDZAAO-QGZVFWFLSA-N
XLogP2.39
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.92
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55504513
3-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 55565593
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 24585854
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579141
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-(4-methylphenyl)acetamide
CID 60516267

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 51965035) is 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is O=C(CCN1CCO[C@@H](c2ccc(Cl)cc2)C1)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is HRMCFXKERDZAAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27ClN4O4/c22-16-6-4-15(5-7-16)17-14-25(12-13-30-17)11-8-18(27)24-26-19(28)21(23-20(26)29)9-2-1-3-10-21/h4-7,17H,1-3,8-14H2,(H,23,29)(H,24,27)/t17-/m1/s1.
What are the key properties of 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 434.92 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 51965035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).