1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea

C8H14N4O3 — CID 135296477

IUPAC1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
SMILESCNC(=O)N(NC)C1CCC(=O)NC1=O
InChIInChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14)
InChIKeyYFPHOIDOEHVMCK-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.43
Rot. Bonds2

About 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea

1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea (PubChem CID 135296477) has the molecular formula C8H14N4O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea.

Molecular Properties

Compound Name1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
PubChem CID135296477
Molecular FormulaC8H14N4O3
Molecular Weight214.22 g/mol
Exact Mass214.11
IUPAC Name1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea
SMILESCNC(=O)N(NC)C1CCC(=O)NC1=O
InChIInChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14)
InChIKeyYFPHOIDOEHVMCK-UHFFFAOYSA-N
XLogP-1.43
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
1-[4-(3-bromopropyl)phenyl]-1-(2,6-dioxopiperidin-3-yl)-3-methylurea
CID 156858771
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
CID 175152046
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
(Z,2Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-(1-oxopropan-2-ylidene)pent-3-enamide
CID 176988239
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
N-[[(Z)-but-1-enoxy]methyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 139363228
N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide
CID 172546434
6-(3-aminoprop-1-ynyl)-N-(2,6-dioxopiperidin-3-yl)-N-methylpyridine-2-carboxamide
CID 171808981
N'-(2,6-dioxopiperidin-3-yl)-2,2-difluoro-3-hydroxy-3-methyl-N'-[(Z)-2-methylidenehex-3-enoyl]hexanehydrazide
CID 170313868
(2E,3Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethylidene-N-formyl-3-methylhexa-3,5-dienamide;N-methylpropanamide
CID 168945737

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The IUPAC name of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea (CID 135296477) is 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea.
What is the SMILES notation for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The canonical SMILES for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea is CNC(=O)N(NC)C1CCC(=O)NC1=O.
What is the InChIKey of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
The InChIKey is YFPHOIDOEHVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3/c1-9-8(15)12(10-2)5-3-4-6(13)11-7(5)14/h5,10H,3-4H2,1-2H3,(H,9,15)(H,11,13,14).
What are the key properties of 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea?
1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea has a molecular weight of 214.22 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxopiperidin-3-yl)-3-methyl-1-(methylamino)urea is sourced from PubChem (CID 135296477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).