3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H28N4O3 — CID 119435446

IUPAC3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(N)C1CCCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-12(18)13-6-2-5-10-20(13)14(22)7-11-21-15(23)17(19-16(21)24)8-3-4-9-17/h12-13H,2-11,18H2,1H3,(H,19,24)
InChIKeyMIJACBDRIRCUFF-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.97
Rot. Bonds4

About 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 119435446) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID119435446
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCC(N)C1CCCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C17H28N4O3/c1-12(18)13-6-2-5-10-20(13)14(22)7-11-21-15(23)17(19-16(21)24)8-3-4-9-17/h12-13H,2-11,18H2,1H3,(H,19,24)
InChIKeyMIJACBDRIRCUFF-UHFFFAOYSA-N
XLogP0.97
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.97
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-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-8-tert-butyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119434910
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;2,2,2-trifluoroacetic acid
CID 166251909
2-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 119436468
3-[3-[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124592568
3-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9462521
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 119434841
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]imidazolidine-2,4-dione;hydrochloride
CID 119434403
3-amino-N-[[1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578542
3-[4-[2-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
CID 119435379
3-(3-oxo-3-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 35809666
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114279
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 119435446) is 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is CC(N)C1CCCCN1C(=O)CCN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is MIJACBDRIRCUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12(18)13-6-2-5-10-20(13)14(22)7-11-21-15(23)17(19-16(21)24)8-3-4-9-17/h12-13H,2-11,18H2,1H3,(H,19,24).
What are the key properties of 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 119435446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).