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

C17H22N4O4 — CID 56755815

IUPAC5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)CCC3NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C17H22N4O4/c1-11-2-4-13(18-10-11)17(25)6-8-21(9-7-17)14(22)5-3-12-15(23)20-16(24)19-12/h2,4,10,12,25H,3,5-9H2,1H3,(H2,19,20,23,24)
InChIKeyUPDBEXAUQASVBY-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.19
Rot. Bonds4

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

5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 56755815) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID56755815
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1ccc(C2(O)CCN(C(=O)CCC3NC(=O)NC3=O)CC2)nc1
InChIInChI=1S/C17H22N4O4/c1-11-2-4-13(18-10-11)17(25)6-8-21(9-7-17)14(22)5-3-12-15(23)20-16(24)19-12/h2,4,10,12,25H,3,5-9H2,1H3,(H2,19,20,23,24)
InChIKeyUPDBEXAUQASVBY-UHFFFAOYSA-N
XLogP0.19
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.19
H-Bond Donors ≤ 53
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-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 56755815) is 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1ccc(C2(O)CCN(C(=O)CCC3NC(=O)NC3=O)CC2)nc1.
What is the InChIKey of 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is UPDBEXAUQASVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-2-4-13(18-10-11)17(25)6-8-21(9-7-17)14(22)5-3-12-15(23)20-16(24)19-12/h2,4,10,12,25H,3,5-9H2,1H3,(H2,19,20,23,24).
What are the key properties of 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 346.39 g/mol, XLogP of 0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56755815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).