3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C18H25N3O5 — CID 24794303

IUPAC3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1OC
InChIInChI=1S/C18H25N3O5/c1-24-15-6-5-13(10-16(15)25-2)19-14-4-3-7-20(11-14)17(22)12-21-8-9-26-18(21)23/h5-6,10,14,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyOAUCTNDDQFKBFY-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.56
Rot. Bonds6

About 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 24794303) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID24794303
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1OC
InChIInChI=1S/C18H25N3O5/c1-24-15-6-5-13(10-16(15)25-2)19-14-4-3-7-20(11-14)17(22)12-21-8-9-26-18(21)23/h5-6,10,14,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyOAUCTNDDQFKBFY-UHFFFAOYSA-N
XLogP1.56
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 24794303) is 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is COc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1OC.
What is the InChIKey of 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is OAUCTNDDQFKBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-24-15-6-5-13(10-16(15)25-2)19-14-4-3-7-20(11-14)17(22)12-21-8-9-26-18(21)23/h5-6,10,14,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 363.41 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,4-dimethoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24794303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).