5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

C19H26N4O4 — CID 56746556

IUPAC5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O
InChIInChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26)
InChIKeyDCKSRKWKOPBYHS-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.92
Rot. Bonds5

About 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione

5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 56746556) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID56746556
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O
InChIInChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26)
InChIKeyDCKSRKWKOPBYHS-UHFFFAOYSA-N
XLogP0.92
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.92
H-Bond Donors ≤ 52
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-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 56746556) is 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)NC(CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)C1=O.
What is the InChIKey of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is DCKSRKWKOPBYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-8-23-17(25)14(21-18(23)26)11-16(24)22-9-6-19(27,7-10-22)15-5-4-13(2)12-20-15/h4-5,12,14,27H,3,6-11H2,1-2H3,(H,21,26).
What are the key properties of 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 56746556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).