3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

C19H25ClN2O5 — CID 3696328

IUPAC3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)c(Cl)c1OC
InChIInChI=1S/C19H25ClN2O5/c1-19(2)11-27-18(24)22(19)12-7-9-21(10-8-12)17(23)13-5-6-14(25-3)16(26-4)15(13)20/h5-6,12H,7-11H2,1-4H3
InChIKeyWSIDUPJYRPICQE-UHFFFAOYSA-N
MW396.87 g/mol
LogP3.19
Rot. Bonds4

About 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one

3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (PubChem CID 3696328) has the molecular formula C19H25ClN2O5 and a molecular weight of 396.87 g/mol. Its IUPAC name is 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
PubChem CID3696328
Molecular FormulaC19H25ClN2O5
Molecular Weight396.87 g/mol
Exact Mass396.15
IUPAC Name3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)c(Cl)c1OC
InChIInChI=1S/C19H25ClN2O5/c1-19(2)11-27-18(24)22(19)12-7-9-21(10-8-12)17(23)13-5-6-14(25-3)16(26-4)15(13)20/h5-6,12H,7-11H2,1-4H3
InChIKeyWSIDUPJYRPICQE-UHFFFAOYSA-N
XLogP3.19
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one (CID 3696328) is 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is COc1ccc(C(=O)N2CCC(N3C(=O)OCC3(C)C)CC2)c(Cl)c1OC.
What is the InChIKey of 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is WSIDUPJYRPICQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O5/c1-19(2)11-27-18(24)22(19)12-7-9-21(10-8-12)17(23)13-5-6-14(25-3)16(26-4)15(13)20/h5-6,12H,7-11H2,1-4H3.
What are the key properties of 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one?
3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 396.87 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-3,4-dimethoxybenzoyl)piperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3696328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).