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

C17H23N3O4 — CID 24793036

IUPAC3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C17H23N3O4/c1-23-15-6-4-13(5-7-15)18-14-3-2-8-19(11-14)16(21)12-20-9-10-24-17(20)22/h4-7,14,18H,2-3,8-12H2,1H3
InChIKeyQDKPNKIJZXQWPA-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.55
Rot. Bonds5

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

3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 24793036) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID24793036
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1
InChIInChI=1S/C17H23N3O4/c1-23-15-6-4-13(5-7-15)18-14-3-2-8-19(11-14)16(21)12-20-9-10-24-17(20)22/h4-7,14,18H,2-3,8-12H2,1H3
InChIKeyQDKPNKIJZXQWPA-UHFFFAOYSA-N
XLogP1.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[4-(3-methoxyphenyl)phenyl]-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]piperidine-3-carboxamide
CID 42459003
1-[(3S)-3-(4-methoxyanilino)piperidin-1-yl]-2-phenylsulfanylethanone
CID 42101235
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 42533745
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 45188207
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 42101300
[3-(4-methoxyanilino)piperidin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 45204907
(4-ethenylphenyl)-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25279248
3-(3-chlorophenyl)-1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 42240911
3-(3-chlorophenyl)-1-[3-(4-methoxyanilino)piperidin-1-yl]propan-1-one
CID 24790178
[4-(furan-2-yl)phenyl]-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]methanone
CID 25275365
1-[(3R)-3-(4-methoxyanilino)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 95724781

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 24793036) is 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is COc1ccc(NC2CCCN(C(=O)CN3CCOC3=O)C2)cc1.
What is the InChIKey of 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is QDKPNKIJZXQWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-23-15-6-4-13(5-7-15)18-14-3-2-8-19(11-14)16(21)12-20-9-10-24-17(20)22/h4-7,14,18H,2-3,8-12H2,1H3.
What are the key properties of 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(4-methoxyanilino)piperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24793036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).