[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

C20H31N3O5 — CID 92781510

IUPAC[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCN(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C20H31N3O5/c1-13-4-8-20(9-5-13)18(26)23(19(27)21-20)12-16(24)28-15(3)17(25)22-10-6-14(2)7-11-22/h13-15H,4-12H2,1-3H3,(H,21,27)/t13?,15-,20?/m1/s1
InChIKeyWSESCSFNJJPQEN-KLSXAPCHSA-N
MW393.48 g/mol
LogP1.68
Rot. Bonds4

About [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate

[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (PubChem CID 92781510) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
PubChem CID92781510
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
SMILESCC1CCN(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
InChIInChI=1S/C20H31N3O5/c1-13-4-8-20(9-5-13)18(26)23(19(27)21-20)12-16(24)28-15(3)17(25)22-10-6-14(2)7-11-22/h13-15H,4-12H2,1-3H3,(H,21,27)/t13?,15-,20?/m1/s1
InChIKeyWSESCSFNJJPQEN-KLSXAPCHSA-N
XLogP1.68
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate with MolForge

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Related Compounds

(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
[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7898131
[1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 47094481
3-[2-(azocan-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 41294447
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46803627
1-[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]piperidine-4-carbonitrile
CID 49063313
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565941
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42986942
3-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 120814508
[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469701
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 92783410
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 8565457

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate (CID 92781510) is [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is CC1CCN(C(=O)[C@@H](C)OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1.
What is the InChIKey of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is WSESCSFNJJPQEN-KLSXAPCHSA-N. The full InChI is InChI=1S/C20H31N3O5/c1-13-4-8-20(9-5-13)18(26)23(19(27)21-20)12-16(24)28-15(3)17(25)22-10-6-14(2)7-11-22/h13-15H,4-12H2,1-3H3,(H,21,27)/t13?,15-,20?/m1/s1.
What are the key properties of [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate?
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 393.48 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 92781510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).