4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione

C16H19NO2 — CID 79977934

IUPAC4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1ccc(C2CC2)cc1
InChIInChI=1S/C16H19NO2/c1-2-13-14(9-15(18)17-16(13)19)12-7-5-11(6-8-12)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,17,18,19)
InChIKeySSGDTVGJMHXPPL-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.72
Rot. Bonds3

About 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione

4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione (PubChem CID 79977934) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
PubChem CID79977934
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione
SMILESCCC1C(=O)NC(=O)CC1c1ccc(C2CC2)cc1
InChIInChI=1S/C16H19NO2/c1-2-13-14(9-15(18)17-16(13)19)12-7-5-11(6-8-12)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,17,18,19)
InChIKeySSGDTVGJMHXPPL-UHFFFAOYSA-N
XLogP2.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione?
The IUPAC name of 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione (CID 79977934) is 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione is CCC1C(=O)NC(=O)CC1c1ccc(C2CC2)cc1.
What is the InChIKey of 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione?
The InChIKey is SSGDTVGJMHXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-13-14(9-15(18)17-16(13)19)12-7-5-11(6-8-12)10-3-4-10/h5-8,10,13-14H,2-4,9H2,1H3,(H,17,18,19).
What are the key properties of 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione?
4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione has a molecular weight of 257.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylphenyl)-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 79977934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).