5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

C17H27N5O2 — CID 71927218

IUPAC5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C)n(CCN2CCCC(C3(C)NC(=O)N(C)C3=O)C2)n1
InChIInChI=1S/C17H27N5O2/c1-12-10-13(2)22(19-12)9-8-21-7-5-6-14(11-21)17(3)15(23)20(4)16(24)18-17/h10,14H,5-9,11H2,1-4H3,(H,18,24)
InChIKeyQTVYBJAYKXJGDH-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.15
Rot. Bonds4

About 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione

5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (PubChem CID 71927218) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
PubChem CID71927218
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
SMILESCc1cc(C)n(CCN2CCCC(C3(C)NC(=O)N(C)C3=O)C2)n1
InChIInChI=1S/C17H27N5O2/c1-12-10-13(2)22(19-12)9-8-21-7-5-6-14(11-21)17(3)15(23)20(4)16(24)18-17/h10,14H,5-9,11H2,1-4H3,(H,18,24)
InChIKeyQTVYBJAYKXJGDH-UHFFFAOYSA-N
XLogP1.15
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.15
H-Bond Donors ≤ 51
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-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione (CID 71927218) is 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is Cc1cc(C)n(CCN2CCCC(C3(C)NC(=O)N(C)C3=O)C2)n1.
What is the InChIKey of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
The InChIKey is QTVYBJAYKXJGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12-10-13(2)22(19-12)9-8-21-7-5-6-14(11-21)17(3)15(23)20(4)16(24)18-17/h10,14H,5-9,11H2,1-4H3,(H,18,24).
What are the key properties of 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione?
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione has a molecular weight of 333.44 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 71927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).