ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate

C16H29N3O2 — CID 145069937

IUPACethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate
SMILESCC.COC(=O)C(C)(C)n1cc(C2CCCN(C)C2)cn1
InChIInChI=1S/C14H23N3O2.C2H6/c1-14(2,13(18)19-4)17-10-12(8-15-17)11-6-5-7-16(3)9-11;1-2/h8,10-11H,5-7,9H2,1-4H3;1-2H3
InChIKeyLOVCRHOAJMHTBM-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.63
Rot. Bonds3

About ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate

ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate (PubChem CID 145069937) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate.

Molecular Properties

Compound Nameethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate
PubChem CID145069937
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Nameethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate
SMILESCC.COC(=O)C(C)(C)n1cc(C2CCCN(C)C2)cn1
InChIInChI=1S/C14H23N3O2.C2H6/c1-14(2,13(18)19-4)17-10-12(8-15-17)11-6-5-7-16(3)9-11;1-2/h8,10-11H,5-7,9H2,1-4H3;1-2H3
InChIKeyLOVCRHOAJMHTBM-UHFFFAOYSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate 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 ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate?
The IUPAC name of ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate (CID 145069937) is ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate.
What is the SMILES notation for ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate?
The canonical SMILES for ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate is CC.COC(=O)C(C)(C)n1cc(C2CCCN(C)C2)cn1.
What is the InChIKey of ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate?
The InChIKey is LOVCRHOAJMHTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C2H6/c1-14(2,13(18)19-4)17-10-12(8-15-17)11-6-5-7-16(3)9-11;1-2/h8,10-11H,5-7,9H2,1-4H3;1-2H3.
What are the key properties of ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate?
ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate has a molecular weight of 295.43 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-methyl-2-[4-(1-methylpiperidin-3-yl)pyrazol-1-yl]propanoate is sourced from PubChem (CID 145069937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).