3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H28N4O3 — CID 96512972

IUPAC3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1N(C)C
InChIInChI=1S/C17H28N4O3/c1-12-9-20(10-13(12)19(2)3)14(22)11-21-15(23)17(18-16(21)24)7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,18,24)/t12-,13+/m1/s1
InChIKeyBJMKQBOBXRRLEH-OLZOCXBDSA-N
MW336.44 g/mol
LogP0.65
Rot. Bonds3

About 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 96512972) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID96512972
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESC[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1N(C)C
InChIInChI=1S/C17H28N4O3/c1-12-9-20(10-13(12)19(2)3)14(22)11-21-15(23)17(18-16(21)24)7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,18,24)/t12-,13+/m1/s1
InChIKeyBJMKQBOBXRRLEH-OLZOCXBDSA-N
XLogP0.65
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4212120
3-[1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 71872147
3-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120657837
3-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119576929
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7043462
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-dimethylacetamide
CID 9208145
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
1-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 96513072
3-(2-oxopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610156
3-(2-oxo-2-piperazin-1-ylethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24694836
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 120816912
(3R)-1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-3-carboxamide
CID 94457732

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 96512972) is 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C[C@@H]1N(C)C.
What is the InChIKey of 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BJMKQBOBXRRLEH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-12-9-20(10-13(12)19(2)3)14(22)11-21-15(23)17(18-16(21)24)7-5-4-6-8-17/h12-13H,4-11H2,1-3H3,(H,18,24)/t12-,13+/m1/s1.
What are the key properties of 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 96512972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).