3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

C21H37ClN4O3 — CID 119434910

IUPAC3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.Cl
InChIInChI=1S/C21H36N4O3.ClH/c1-14(22)16-7-5-6-12-24(16)17(26)13-25-18(27)21(23-19(25)28)10-8-15(9-11-21)20(2,3)4;/h14-16H,5-13,22H2,1-4H3,(H,23,28);1H
InChIKeyHLPQDOFBVNTODZ-UHFFFAOYSA-N
MW429.01 g/mol
LogP2.66
Rot. Bonds3

About 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride

3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (PubChem CID 119434910) has the molecular formula C21H37ClN4O3 and a molecular weight of 429.01 g/mol. Its IUPAC name is 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
PubChem CID119434910
Molecular FormulaC21H37ClN4O3
Molecular Weight429.01 g/mol
Exact Mass428.26
IUPAC Name3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.Cl
InChIInChI=1S/C21H36N4O3.ClH/c1-14(22)16-7-5-6-12-24(16)17(26)13-25-18(27)21(23-19(25)28)10-8-15(9-11-21)20(2,3)4;/h14-16H,5-13,22H2,1-4H3,(H,23,28);1H
InChIKeyHLPQDOFBVNTODZ-UHFFFAOYSA-N
XLogP2.66
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.01
LogP ≤ 52.66
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

8-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51138966
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119435446
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119632085
(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]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120820292
1-[2-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124692827
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
3-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119593328
(1-morpholin-4-yl-1-oxopropan-2-yl) 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 55355365
1-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-3-prop-2-enylimidazolidine-2,4,5-trione
CID 119437679
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The IUPAC name of 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride (CID 119434910) is 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The canonical SMILES for 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is CC(N)C1CCCCN1C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O.Cl.
What is the InChIKey of 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
The InChIKey is HLPQDOFBVNTODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3.ClH/c1-14(22)16-7-5-6-12-24(16)17(26)13-25-18(27)21(23-19(25)28)10-8-15(9-11-21)20(2,3)4;/h14-16H,5-13,22H2,1-4H3,(H,23,28);1H.
What are the key properties of 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride?
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride has a molecular weight of 429.01 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride is sourced from PubChem (CID 119434910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).