4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione

C24H33NO2 — CID 145066495

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
SMILESC=C(CC1CC(=O)C(c2c(C)cc(C)cc2C)C1=O)N1CC(C)CC(C)C1
InChIInChI=1S/C24H33NO2/c1-14-8-17(4)22(18(5)9-14)23-21(26)11-20(24(23)27)10-19(6)25-12-15(2)7-16(3)13-25/h8-9,15-16,20,23H,6-7,10-13H2,1-5H3
InChIKeyQTHAEMVZSSNRAF-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.74
Rot. Bonds4

About 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione

4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione (PubChem CID 145066495) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
PubChem CID145066495
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
SMILESC=C(CC1CC(=O)C(c2c(C)cc(C)cc2C)C1=O)N1CC(C)CC(C)C1
InChIInChI=1S/C24H33NO2/c1-14-8-17(4)22(18(5)9-14)23-21(26)11-20(24(23)27)10-19(6)25-12-15(2)7-16(3)13-25/h8-9,15-16,20,23H,6-7,10-13H2,1-5H3
InChIKeyQTHAEMVZSSNRAF-UHFFFAOYSA-N
XLogP4.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide
CID 130362650
2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethylazanium
CID 140707308
4-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 58481619
4-[[1-(3-chloro-2,2-dimethylpropanoyl)pyrrolidin-3-yl]methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 58481486
4-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 58481494
4-(pyridin-4-ylmethyl)-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66684084
4-[(5-methylfuran-2-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683885
S-phenyl 4-[[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]methyl]piperidine-1-carbothioate
CID 58481632
4-[(4-methyl-2-pyridinyl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683898
N-[2-[2,4-dioxo-3-(2,4,6-trimethylphenyl)cyclopentyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 118967929
4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 66683926
N-cyclopentyl-2-[2-methylidene-4-oxo-3-(2,4,6-trimethylphenyl)cyclopentyl]acetamide;molecular hydrogen
CID 145066444

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione (CID 145066495) is 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione is C=C(CC1CC(=O)C(c2c(C)cc(C)cc2C)C1=O)N1CC(C)CC(C)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione?
The InChIKey is QTHAEMVZSSNRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-14-8-17(4)22(18(5)9-14)23-21(26)11-20(24(23)27)10-19(6)25-12-15(2)7-16(3)13-25/h8-9,15-16,20,23H,6-7,10-13H2,1-5H3.
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione?
4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione has a molecular weight of 367.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)prop-2-enyl]-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione is sourced from PubChem (CID 145066495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).