3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

C23H36N4O3S — CID 45250817

IUPAC3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccsc1C(=O)N1CCC(C2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C23H36N4O3S/c1-16(2)6-10-23(21(29)27(22(30)24-23)14-13-25(4)5)18-7-11-26(12-8-18)20(28)19-17(3)9-15-31-19/h9,15-16,18H,6-8,10-14H2,1-5H3,(H,24,30)
InChIKeyHAZZFPANCUZRHN-UHFFFAOYSA-N
MW448.63 g/mol
LogP3.20
Rot. Bonds8

About 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45250817) has the molecular formula C23H36N4O3S and a molecular weight of 448.63 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45250817
Molecular FormulaC23H36N4O3S
Molecular Weight448.63 g/mol
Exact Mass448.25
IUPAC Name3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccsc1C(=O)N1CCC(C2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1
InChIInChI=1S/C23H36N4O3S/c1-16(2)6-10-23(21(29)27(22(30)24-23)14-13-25(4)5)18-7-11-26(12-8-18)20(28)19-17(3)9-15-31-19/h9,15-16,18H,6-8,10-14H2,1-5H3,(H,24,30)
InChIKeyHAZZFPANCUZRHN-UHFFFAOYSA-N
XLogP3.20
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.63
LogP ≤ 53.20
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 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 45250817) is 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccsc1C(=O)N1CCC(C2(CCC(C)C)NC(=O)N(CCN(C)C)C2=O)CC1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is HAZZFPANCUZRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3S/c1-16(2)6-10-23(21(29)27(22(30)24-23)14-13-25(4)5)18-7-11-26(12-8-18)20(28)19-17(3)9-15-31-19/h9,15-16,18H,6-8,10-14H2,1-5H3,(H,24,30).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 448.63 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45250817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).