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

C22H40N4O3 — CID 45177084

IUPAC3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCN(C(=O)C(C)(C)C)CC2)NC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C22H40N4O3/c1-16(2)8-11-22(19(28)26(20(29)23-22)15-14-24(6)7)17-9-12-25(13-10-17)18(27)21(3,4)5/h16-17H,8-15H2,1-7H3,(H,23,29)
InChIKeyHACJNWIODAPKTQ-UHFFFAOYSA-N
MW408.59 g/mol
LogP2.56
Rot. Bonds7

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

3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione (PubChem CID 45177084) has the molecular formula C22H40N4O3 and a molecular weight of 408.59 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
PubChem CID45177084
Molecular FormulaC22H40N4O3
Molecular Weight408.59 g/mol
Exact Mass408.31
IUPAC Name3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
SMILESCC(C)CCC1(C2CCN(C(=O)C(C)(C)C)CC2)NC(=O)N(CCN(C)C)C1=O
InChIInChI=1S/C22H40N4O3/c1-16(2)8-11-22(19(28)26(20(29)23-22)15-14-24(6)7)17-9-12-25(13-10-17)18(27)21(3,4)5/h16-17H,8-15H2,1-7H3,(H,23,29)
InChIKeyHACJNWIODAPKTQ-UHFFFAOYSA-N
XLogP2.56
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione (CID 45177084) is 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione is CC(C)CCC1(C2CCN(C(=O)C(C)(C)C)CC2)NC(=O)N(CCN(C)C)C1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
The InChIKey is HACJNWIODAPKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O3/c1-16(2)8-11-22(19(28)26(20(29)23-22)15-14-24(6)7)17-9-12-25(13-10-17)18(27)21(3,4)5/h16-17H,8-15H2,1-7H3,(H,23,29).
What are the key properties of 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione has a molecular weight of 408.59 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-5-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45177084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).