methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate

C15H24N4O3 — CID 8754695

IUPACmethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)18(3)17-10)16-13(20)9-19-7-5-12(6-8-19)15(21)22-4/h12H,5-9H2,1-4H3,(H,16,20)
InChIKeyMROXDEFQBWBEJI-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.86
Rot. Bonds4

About methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate (PubChem CID 8754695) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate
PubChem CID8754695
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Namemethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H24N4O3/c1-10-14(11(2)18(3)17-10)16-13(20)9-19-7-5-12(6-8-19)15(21)22-4/h12H,5-9H2,1-4H3,(H,16,20)
InChIKeyMROXDEFQBWBEJI-UHFFFAOYSA-N
XLogP0.86
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate (CID 8754695) is methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate?
The InChIKey is MROXDEFQBWBEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-10-14(11(2)18(3)17-10)16-13(20)9-19-7-5-12(6-8-19)15(21)22-4/h12H,5-9H2,1-4H3,(H,16,20).
What are the key properties of methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8754695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).