3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one

C19H23ClN2O5 — CID 3868733

IUPAC3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C=CC(=O)N2CCC(N3CCOC3=O)CC2)c(Cl)c1OC
InChIInChI=1S/C19H23ClN2O5/c1-25-15-5-3-13(17(20)18(15)26-2)4-6-16(23)21-9-7-14(8-10-21)22-11-12-27-19(22)24/h3-6,14H,7-12H2,1-2H3
InChIKeyYEEZZMYPIBYTBG-UHFFFAOYSA-N
MW394.86 g/mol
LogP2.81
Rot. Bonds5

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

3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 3868733) has the molecular formula C19H23ClN2O5 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID3868733
Molecular FormulaC19H23ClN2O5
Molecular Weight394.86 g/mol
Exact Mass394.13
IUPAC Name3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(C=CC(=O)N2CCC(N3CCOC3=O)CC2)c(Cl)c1OC
InChIInChI=1S/C19H23ClN2O5/c1-25-15-5-3-13(17(20)18(15)26-2)4-6-16(23)21-9-7-14(8-10-21)22-11-12-27-19(22)24/h3-6,14H,7-12H2,1-2H3
InChIKeyYEEZZMYPIBYTBG-UHFFFAOYSA-N
XLogP2.81
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)prop-2-en-1-one
CID 21031148
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-cyclopentylpiperazin-1-yl)prop-2-en-1-one
CID 69021660
3-(2-chloro-3,4-dimethoxyphenyl)-1-(4-prop-2-enylpiperazin-1-yl)prop-2-en-1-one
CID 69022271
1-[2-[(2-acetyl-4-fluorophenoxy)methyl]morpholin-4-yl]-3-(2-chloro-3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3821360
2-[[1-[(E)-3-(2,3-dichloro-4-methoxyphenyl)prop-2-enoyl]piperidine-4-carbonyl]amino]propanoic acid
CID 11697646
(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 60528635
3-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 74247346
(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 16767189
3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazinan-2-one
CID 3254480
(E)-3-(5-chloro-2-methoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 94589862
3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enehydrazide
CID 2774974
3-(2-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 2929140

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one (CID 3868733) is 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc(C=CC(=O)N2CCC(N3CCOC3=O)CC2)c(Cl)c1OC.
What is the InChIKey of 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is YEEZZMYPIBYTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O5/c1-25-15-5-3-13(17(20)18(15)26-2)4-6-16(23)21-9-7-14(8-10-21)22-11-12-27-19(22)24/h3-6,14H,7-12H2,1-2H3.
What are the key properties of 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one?
3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 394.86 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(2-chloro-3,4-dimethoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3868733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).