N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide

C21H35N5O4 — CID 55447252

IUPACN,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1
InChIInChI=1S/C21H35N5O4/c1-4-24(5-2)17(27)15-23-11-13-25(14-12-23)18(28)16-26-19(29)21(22(3)20(26)30)9-7-6-8-10-21/h4-16H2,1-3H3
InChIKeyOOGZOAJLQITGRT-UHFFFAOYSA-N
MW421.54 g/mol
LogP0.60
Rot. Bonds6

About N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide

N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 55447252) has the molecular formula C21H35N5O4 and a molecular weight of 421.54 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID55447252
Molecular FormulaC21H35N5O4
Molecular Weight421.54 g/mol
Exact Mass421.27
IUPAC NameN,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1
InChIInChI=1S/C21H35N5O4/c1-4-24(5-2)17(27)15-23-11-13-25(14-12-23)18(28)16-26-19(29)21(22(3)20(26)30)9-7-6-8-10-21/h4-16H2,1-3H3
InChIKeyOOGZOAJLQITGRT-UHFFFAOYSA-N
XLogP0.60
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(azetidin-1-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 127271628
ethyl 4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazine-1-carboxylate
CID 91639709
1-methyl-3-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55369271
N-(3-methoxypropyl)-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide
CID 55429013
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7494626
3-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120658663
N-ethyl-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 55587303
1-methyl-3-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119541247
3-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24545353
3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18108195
2-[4-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55642373
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119397711

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide (CID 55447252) is N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1.
What is the InChIKey of N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is OOGZOAJLQITGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O4/c1-4-24(5-2)17(27)15-23-11-13-25(14-12-23)18(28)16-26-19(29)21(22(3)20(26)30)9-7-6-8-10-21/h4-16H2,1-3H3.
What are the key properties of N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 421.54 g/mol, XLogP of 0.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55447252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).