3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one

C13H19N3O3 — CID 83000897

IUPAC3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one
SMILESCOc1cc(N)c(NC2CCCNC2=O)cc1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-9-4-3-5-15-13(9)17/h6-7,9,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyXVTHKWGOVDYSQC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.98
Rot. Bonds4

About 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one

3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one (PubChem CID 83000897) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one
PubChem CID83000897
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one
SMILESCOc1cc(N)c(NC2CCCNC2=O)cc1OC
InChIInChI=1S/C13H19N3O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-9-4-3-5-15-13(9)17/h6-7,9,16H,3-5,14H2,1-2H3,(H,15,17)
InChIKeyXVTHKWGOVDYSQC-UHFFFAOYSA-N
XLogP0.98
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-4-chloro-5-fluoroanilino)piperidin-2-one
CID 66076668
3-(4-amino-2-bromo-5-methylanilino)piperidin-2-one
CID 114048233
3-(2-amino-3,5-difluoroanilino)piperidin-2-one
CID 113325264
4-(2-amino-4,5-dimethoxyanilino)pyrrolidin-2-one
CID 114155142
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]piperidin-2-one
CID 106747635
3-(4-amino-2-fluoroanilino)piperidin-2-one
CID 62093075
4,5-dimethoxy-2-N-(oxolan-2-yl)benzene-1,2-diamine
CID 13000218
N-[2-methoxy-5-[[(3S)-2-oxoazepan-3-yl]amino]phenyl]acetamide
CID 37305986
3-[(5-methoxypyrimidin-2-yl)amino]piperidin-2-one
CID 114600542
3-[(3,4,5-trimethoxyphenyl)methylamino]piperidin-2-one
CID 62093386
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one?
The IUPAC name of 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one (CID 83000897) is 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one.
What is the SMILES notation for 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one?
The canonical SMILES for 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one is COc1cc(N)c(NC2CCCNC2=O)cc1OC.
What is the InChIKey of 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one?
The InChIKey is XVTHKWGOVDYSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-11-6-8(14)10(7-12(11)19-2)16-9-4-3-5-15-13(9)17/h6-7,9,16H,3-5,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one?
3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4,5-dimethoxyanilino)piperidin-2-one is sourced from PubChem (CID 83000897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).