3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

C15H20N2O4 — CID 124876894

IUPAC3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C([C@@H]1CC=CCC1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-13-10-21-15(20)17(13)12-6-8-16(9-7-12)14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2/t11-/m1/s1
InChIKeyQKEVRNHSUBYZFN-LLVKDONJSA-N
MW292.33 g/mol
LogP1.31
Rot. Bonds2

About 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione

3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 124876894) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
PubChem CID124876894
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C([C@@H]1CC=CCC1)N1CCC(N2C(=O)COC2=O)CC1
InChIInChI=1S/C15H20N2O4/c18-13-10-21-15(20)17(13)12-6-8-16(9-7-12)14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2/t11-/m1/s1
InChIKeyQKEVRNHSUBYZFN-LLVKDONJSA-N
XLogP1.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione (CID 124876894) is 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is O=C([C@@H]1CC=CCC1)N1CCC(N2C(=O)COC2=O)CC1.
What is the InChIKey of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is QKEVRNHSUBYZFN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-13-10-21-15(20)17(13)12-6-8-16(9-7-12)14(19)11-4-2-1-3-5-11/h1-2,11-12H,3-10H2/t11-/m1/s1.
What are the key properties of 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione?
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 292.33 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 124876894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).