4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione

C16H25NO2 — CID 103277882

IUPAC4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1C1CC(C)=CC(C)C1
InChIInChI=1S/C16H25NO2/c1-4-5-13-14(9-15(18)17-16(13)19)12-7-10(2)6-11(3)8-12/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18,19)
InChIKeyPLXMYRWPSIPTAV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.06
Rot. Bonds3

About 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione

4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione (PubChem CID 103277882) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione
PubChem CID103277882
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione
SMILESCCCC1C(=O)NC(=O)CC1C1CC(C)=CC(C)C1
InChIInChI=1S/C16H25NO2/c1-4-5-13-14(9-15(18)17-16(13)19)12-7-10(2)6-11(3)8-12/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18,19)
InChIKeyPLXMYRWPSIPTAV-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione?
The IUPAC name of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione (CID 103277882) is 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione.
What is the SMILES notation for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione?
The canonical SMILES for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione is CCCC1C(=O)NC(=O)CC1C1CC(C)=CC(C)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione?
The InChIKey is PLXMYRWPSIPTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-5-13-14(9-15(18)17-16(13)19)12-7-10(2)6-11(3)8-12/h6,10,12-14H,4-5,7-9H2,1-3H3,(H,17,18,19).
What are the key properties of 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione?
4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione has a molecular weight of 263.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohex-3-en-1-yl)-3-propylpiperidine-2,6-dione is sourced from PubChem (CID 103277882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).