5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione

C17H25N5O3 — CID 75422498

IUPAC5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C)(C2CCCN(Cc3nc(C4CC4)no3)C2)C1=O
InChIInChI=1S/C17H25N5O3/c1-3-22-15(23)17(2,19-16(22)24)12-5-4-8-21(9-12)10-13-18-14(20-25-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,19,24)
InChIKeyPLVBSEWDUSBXSW-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.49
Rot. Bonds5

About 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione

5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione (PubChem CID 75422498) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione
PubChem CID75422498
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione
SMILESCCN1C(=O)NC(C)(C2CCCN(Cc3nc(C4CC4)no3)C2)C1=O
InChIInChI=1S/C17H25N5O3/c1-3-22-15(23)17(2,19-16(22)24)12-5-4-8-21(9-12)10-13-18-14(20-25-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,19,24)
InChIKeyPLVBSEWDUSBXSW-UHFFFAOYSA-N
XLogP1.49
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione (CID 75422498) is 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione is CCN1C(=O)NC(C)(C2CCCN(Cc3nc(C4CC4)no3)C2)C1=O.
What is the InChIKey of 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione?
The InChIKey is PLVBSEWDUSBXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-3-22-15(23)17(2,19-16(22)24)12-5-4-8-21(9-12)10-13-18-14(20-25-13)11-6-7-11/h11-12H,3-10H2,1-2H3,(H,19,24).
What are the key properties of 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione?
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-3-ethyl-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 75422498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).