3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C17H29ClN4O3 — CID 119593328

IUPAC3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC(N)C1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-12(18)13-6-5-9-20(10-13)14(22)11-21-15(23)17(19-16(21)24)7-3-2-4-8-17;/h12-13H,2-11,18H2,1H3,(H,19,24);1H
InChIKeyGRTUDTGNRHZNGZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP1.25
Rot. Bonds3

About 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 119593328) has the molecular formula C17H29ClN4O3 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID119593328
Molecular FormulaC17H29ClN4O3
Molecular Weight372.90 g/mol
Exact Mass372.19
IUPAC Name3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC(N)C1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1.Cl
InChIInChI=1S/C17H28N4O3.ClH/c1-12(18)13-6-5-9-20(10-13)14(22)11-21-15(23)17(19-16(21)24)7-3-2-4-8-17;/h12-13H,2-11,18H2,1H3,(H,19,24);1H
InChIKeyGRTUDTGNRHZNGZ-UHFFFAOYSA-N
XLogP1.25
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3'-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 119595087
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 119596061
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
CID 94457732
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
3-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119373441
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 95312944
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
(3R)-1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-[(2S)-pentan-2-yl]piperidine-3-carboxamide
CID 52518493
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120816912

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 119593328) is 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CC(N)C1CCCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1.Cl.
What is the InChIKey of 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is GRTUDTGNRHZNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3.ClH/c1-12(18)13-6-5-9-20(10-13)14(22)11-21-15(23)17(19-16(21)24)7-3-2-4-8-17;/h12-13H,2-11,18H2,1H3,(H,19,24);1H.
What are the key properties of 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 119593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).