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

C17H26N6O3 — CID 50953559

IUPAC5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(CC(=O)N2CCC(Cc3nncn3C)CC2)C1=O
InChIInChI=1S/C17H26N6O3/c1-3-6-23-16(25)13(19-17(23)26)10-15(24)22-7-4-12(5-8-22)9-14-20-18-11-21(14)2/h11-13H,3-10H2,1-2H3,(H,19,26)
InChIKeyBQFCYNQHAAJRBW-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.32
Rot. Bonds6

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

5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (PubChem CID 50953559) has the molecular formula C17H26N6O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
PubChem CID50953559
Molecular FormulaC17H26N6O3
Molecular Weight362.43 g/mol
Exact Mass362.21
IUPAC Name5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(CC(=O)N2CCC(Cc3nncn3C)CC2)C1=O
InChIInChI=1S/C17H26N6O3/c1-3-6-23-16(25)13(19-17(23)26)10-15(24)22-7-4-12(5-8-22)9-14-20-18-11-21(14)2/h11-13H,3-10H2,1-2H3,(H,19,26)
InChIKeyBQFCYNQHAAJRBW-UHFFFAOYSA-N
XLogP0.32
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.32
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-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione (CID 50953559) is 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is CCCN1C(=O)NC(CC(=O)N2CCC(Cc3nncn3C)CC2)C1=O.
What is the InChIKey of 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
The InChIKey is BQFCYNQHAAJRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3/c1-3-6-23-16(25)13(19-17(23)26)10-15(24)22-7-4-12(5-8-22)9-14-20-18-11-21(14)2/h11-13H,3-10H2,1-2H3,(H,19,26).
What are the key properties of 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione?
5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione is sourced from PubChem (CID 50953559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).