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

C18H25N3O3 — CID 24790793

IUPAC3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1C
InChIInChI=1S/C18H25N3O3/c1-13-5-6-15(10-14(13)2)19-16-4-3-7-20(11-16)17(22)12-21-8-9-24-18(21)23/h5-6,10,16,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyDJUFVMOZLWPIIP-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.16
Rot. Bonds4

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

3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 24790793) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID24790793
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1C
InChIInChI=1S/C18H25N3O3/c1-13-5-6-15(10-14(13)2)19-16-4-3-7-20(11-16)17(22)12-21-8-9-24-18(21)23/h5-6,10,16,19H,3-4,7-9,11-12H2,1-2H3
InChIKeyDJUFVMOZLWPIIP-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 24790793) is 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1C.
What is the InChIKey of 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is DJUFVMOZLWPIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-5-6-15(10-14(13)2)19-16-4-3-7-20(11-16)17(22)12-21-8-9-24-18(21)23/h5-6,10,16,19H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3,4-dimethylanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24790793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).