4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

C18H30N2O4 — CID 5147344

IUPAC4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2C(=O)OCC2CCCC)CC1
InChIInChI=1S/C18H30N2O4/c1-3-5-6-16-14-24-18(22)20(16)15-7-10-19(11-8-15)17(21)9-13-23-12-4-2/h4,15-16H,2-3,5-14H2,1H3
InChIKeyWDCNMXZGJIXHLU-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds9

About 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one

4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 5147344) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID5147344
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
SMILESC=CCOCCC(=O)N1CCC(N2C(=O)OCC2CCCC)CC1
InChIInChI=1S/C18H30N2O4/c1-3-5-6-16-14-24-18(22)20(16)15-7-10-19(11-8-15)17(21)9-13-23-12-4-2/h4,15-16H,2-3,5-14H2,1H3
InChIKeyWDCNMXZGJIXHLU-UHFFFAOYSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one (CID 5147344) is 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is C=CCOCCC(=O)N1CCC(N2C(=O)OCC2CCCC)CC1.
What is the InChIKey of 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is WDCNMXZGJIXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-3-5-6-16-14-24-18(22)20(16)15-7-10-19(11-8-15)17(21)9-13-23-12-4-2/h4,15-16H,2-3,5-14H2,1H3.
What are the key properties of 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one?
4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-[1-(3-prop-2-enoxypropanoyl)piperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 5147344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).