5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione

C18H29N5O2 — CID 71871843

IUPAC5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(C)(C2CCCN(CCc3cnn(C)c3)C2)C1=O
InChIInChI=1S/C18H29N5O2/c1-13(2)23-16(24)18(3,20-17(23)25)15-6-5-8-22(12-15)9-7-14-10-19-21(4)11-14/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,25)
InChIKeyFAFOSLPTIAZQRU-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.39
Rot. Bonds5

About 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione

5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 71871843) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID71871843
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)NC(C)(C2CCCN(CCc3cnn(C)c3)C2)C1=O
InChIInChI=1S/C18H29N5O2/c1-13(2)23-16(24)18(3,20-17(23)25)15-6-5-8-22(12-15)9-7-14-10-19-21(4)11-14/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,25)
InChIKeyFAFOSLPTIAZQRU-UHFFFAOYSA-N
XLogP1.39
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.39
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-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione (CID 71871843) is 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)NC(C)(C2CCCN(CCc3cnn(C)c3)C2)C1=O.
What is the InChIKey of 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is FAFOSLPTIAZQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-13(2)23-16(24)18(3,20-17(23)25)15-6-5-8-22(12-15)9-7-14-10-19-21(4)11-14/h10-11,13,15H,5-9,12H2,1-4H3,(H,20,25).
What are the key properties of 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione?
5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 347.46 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 71871843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).