2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H29N4O3+ — CID 8539357

IUPAC2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1
InChIInChI=1S/C17H28N4O3/c1-12-8-13(2)10-20(9-12)11-14(22)19-21-15(23)17(18-16(21)24)6-4-3-5-7-17/h12-13H,3-11H2,1-2H3,(H,18,24)(H,19,22)/p+1/t12-,13-/m0/s1
InChIKeyLDBYSFKJSNFXRA-STQMWFEESA-O
MW337.44 g/mol
LogP-0.17
Rot. Bonds3

About 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 8539357) has the molecular formula C17H29N4O3+ and a molecular weight of 337.44 g/mol. Its IUPAC name is 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID8539357
Molecular FormulaC17H29N4O3+
Molecular Weight337.44 g/mol
Exact Mass337.22
IUPAC Name2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESC[C@H]1C[C@H](C)C[NH+](CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1
InChIInChI=1S/C17H28N4O3/c1-12-8-13(2)10-20(9-12)11-14(22)19-21-15(23)17(18-16(21)24)6-4-3-5-7-17/h12-13H,3-11H2,1-2H3,(H,18,24)(H,19,22)/p+1/t12-,13-/m0/s1
InChIKeyLDBYSFKJSNFXRA-STQMWFEESA-O
XLogP-0.17
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(3-methylpiperidin-1-yl)acetamide
CID 46614028
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134484
2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24558559
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8694854
4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24537010
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)acetamide
CID 8754038
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7698948
N-[1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-2-methylpropanamide
CID 55850667
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 9292446
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 18162292

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 8539357) is 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is C[C@H]1C[C@H](C)C[NH+](CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1.
What is the InChIKey of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is LDBYSFKJSNFXRA-STQMWFEESA-O. The full InChI is InChI=1S/C17H28N4O3/c1-12-8-13(2)10-20(9-12)11-14(22)19-21-15(23)17(18-16(21)24)6-4-3-5-7-17/h12-13H,3-11H2,1-2H3,(H,18,24)(H,19,22)/p+1/t12-,13-/m0/s1.
What are the key properties of 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 337.44 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 8539357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).