3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C17H24N2O4 — CID 74247346

IUPAC3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(CN2CCC(N3CCOC3=O)CC2)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-4-13(16(15)22-2)12-18-8-6-14(7-9-18)19-10-11-23-17(19)20/h3-5,14H,6-12H2,1-2H3
InChIKeyIAYABKZNTJXYQX-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one

3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 74247346) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID74247346
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1cccc(CN2CCC(N3CCOC3=O)CC2)c1OC
InChIInChI=1S/C17H24N2O4/c1-21-15-5-3-4-13(16(15)22-2)12-18-8-6-14(7-9-18)19-10-11-23-17(19)20/h3-5,14H,6-12H2,1-2H3
InChIKeyIAYABKZNTJXYQX-UHFFFAOYSA-N
XLogP2.12
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,3-dimethoxyphenyl)methyl]-4-(4-methylpiperidin-1-yl)piperidine;oxalic acid
CID 2910657
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 129372864
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473
3-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 84594291
[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 2903445
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
1-[(2,3-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 770198
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide;oxalic acid
CID 123132441
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 74247346) is 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1cccc(CN2CCC(N3CCOC3=O)CC2)c1OC.
What is the InChIKey of 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is IAYABKZNTJXYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-21-15-5-3-4-13(16(15)22-2)12-18-8-6-14(7-9-18)19-10-11-23-17(19)20/h3-5,14H,6-12H2,1-2H3.
What are the key properties of 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 320.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 74247346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).