3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

C19H27N3O3 — CID 24816932

IUPAC3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-9-21(12-17)18(23)13-22-10-11-25-19(22)24/h5-8,14,17,20H,3-4,9-13H2,1-2H3
InChIKeyHHTKDURNUCZKRL-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.67
Rot. Bonds5

About 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one

3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 24816932) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
PubChem CID24816932
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
SMILESCC(C)c1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-9-21(12-17)18(23)13-22-10-11-25-19(22)24/h5-8,14,17,20H,3-4,9-13H2,1-2H3
InChIKeyHHTKDURNUCZKRL-UHFFFAOYSA-N
XLogP2.67
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 3107635
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
(2S,3S)-3-(4-acetamidophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium
CID 23647706
N-(3,4-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 856321
N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2258010
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 2963140
Ethyl 4-[3-(4-methylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 719559
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one (CID 24816932) is 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is CC(C)c1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1.
What is the InChIKey of 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is HHTKDURNUCZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)15-5-7-16(8-6-15)20-17-4-3-9-21(12-17)18(23)13-22-10-11-25-19(22)24/h5-8,14,17,20H,3-4,9-13H2,1-2H3.
What are the key properties of 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one?
3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24816932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).