5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C25H32N4O3S — CID 45165952

IUPAC5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C25H32N4O3S/c1-5-25(23(31)29(24(32)27-25)11-8-21-18(4)26-15-33-21)20-6-9-28(10-7-20)22(30)19-13-16(2)12-17(3)14-19/h12-15,20H,5-11H2,1-4H3,(H,27,32)
InChIKeyGALYHNKXOUXSAE-UHFFFAOYSA-N
MW468.62 g/mol
LogP3.86
Rot. Bonds6

About 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45165952) has the molecular formula C25H32N4O3S and a molecular weight of 468.62 g/mol. Its IUPAC name is 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID45165952
Molecular FormulaC25H32N4O3S
Molecular Weight468.62 g/mol
Exact Mass468.22
IUPAC Name5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C25H32N4O3S/c1-5-25(23(31)29(24(32)27-25)11-8-21-18(4)26-15-33-21)20-6-9-28(10-7-20)22(30)19-13-16(2)12-17(3)14-19/h12-15,20H,5-11H2,1-4H3,(H,27,32)
InChIKeyGALYHNKXOUXSAE-UHFFFAOYSA-N
XLogP3.86
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.62
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45165952) is 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O.
What is the InChIKey of 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is GALYHNKXOUXSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3S/c1-5-25(23(31)29(24(32)27-25)11-8-21-18(4)26-15-33-21)20-6-9-28(10-7-20)22(30)19-13-16(2)12-17(3)14-19/h12-15,20H,5-11H2,1-4H3,(H,27,32).
What are the key properties of 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 468.62 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45165952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).