4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione

C16H26N4O4 — CID 56756430

IUPAC4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
SMILESCN1CCC2(CC1)CN(C(=O)CN1C(=O)COCC1=O)CCN2C
InChIInChI=1S/C16H26N4O4/c1-17-5-3-16(4-6-17)12-19(8-7-18(16)2)13(21)9-20-14(22)10-24-11-15(20)23/h3-12H2,1-2H3
InChIKeySAFKOJNNLPYNET-UHFFFAOYSA-N
MW338.41 g/mol
LogP-1.39
Rot. Bonds2

About 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione

4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione (PubChem CID 56756430) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
PubChem CID56756430
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione
SMILESCN1CCC2(CC1)CN(C(=O)CN1C(=O)COCC1=O)CCN2C
InChIInChI=1S/C16H26N4O4/c1-17-5-3-16(4-6-17)12-19(8-7-18(16)2)13(21)9-20-14(22)10-24-11-15(20)23/h3-12H2,1-2H3
InChIKeySAFKOJNNLPYNET-UHFFFAOYSA-N
XLogP-1.39
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 56740413
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3,5-dione
CID 62024384
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
5-methyl-1-[2-(1-methyl-9-oxa-1,4-diazaspiro[5.5]undecan-4-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 139598835
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
(6S)-4-[2-(2-methoxyethoxy)acetyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97286758
1-[2-[4-(3-methyloxetane-3-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 127809345
2-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 56755836
5-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane-4-carbonyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 56742402
(6R)-1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97206360
1,10-dimethyl-4-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72922246
10-(cyclopropylmethyl)-4-(3-ethoxypropanoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72878417

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione (CID 56756430) is 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione is CN1CCC2(CC1)CN(C(=O)CN1C(=O)COCC1=O)CCN2C.
What is the InChIKey of 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione?
The InChIKey is SAFKOJNNLPYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-17-5-3-16(4-6-17)12-19(8-7-18(16)2)13(21)9-20-14(22)10-24-11-15(20)23/h3-12H2,1-2H3.
What are the key properties of 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione?
4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione has a molecular weight of 338.41 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-2-oxoethyl]morpholine-3,5-dione is sourced from PubChem (CID 56756430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).