2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide

C20H34N4O3 — CID 120557707

IUPAC2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C20H34N4O3/c1-13-11-21-10-7-15(13)22-16(25)12-24-17(26)20(23-18(24)27)8-5-14(6-9-20)19(2,3)4/h13-15,21H,5-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyKRRXCXCAUOCXLG-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.63
Rot. Bonds3

About 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120557707) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120557707
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide
SMILESCC1CNCCC1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O
InChIInChI=1S/C20H34N4O3/c1-13-11-21-10-7-15(13)22-16(25)12-24-17(26)20(23-18(24)27)8-5-14(6-9-20)19(2,3)4/h13-15,21H,5-12H2,1-4H3,(H,22,25)(H,23,27)
InChIKeyKRRXCXCAUOCXLG-UHFFFAOYSA-N
XLogP1.63
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119534048
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553932
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methylcyclohexyl)acetamide
CID 17433534
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-pyrrolidin-3-ylacetamide
CID 119450197
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120576102
2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 7180891
N-[2-(aminomethyl)cyclopentyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 119602035
N-(1-benzylpyrrolidin-3-yl)-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 46419003
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553949
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 36714303
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86951518
N'-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2-(4-chlorophenyl)acetohydrazide
CID 36855688

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide (CID 120557707) is 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide is CC1CNCCC1NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.
What is the InChIKey of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is KRRXCXCAUOCXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-13-11-21-10-7-15(13)22-16(25)12-24-17(26)20(23-18(24)27)8-5-14(6-9-20)19(2,3)4/h13-15,21H,5-12H2,1-4H3,(H,22,25)(H,23,27).
What are the key properties of 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide?
2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 378.52 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120557707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).