methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate

C14H20N4O2 — CID 63756668

IUPACmethyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-10-12(9-15)14(17(2)16-10)18-7-5-4-6-11(18)8-13(19)20-3/h11H,4-8H2,1-3H3
InChIKeyXPZATEOQJNZMGA-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.52
Rot. Bonds3

About methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate

methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate (PubChem CID 63756668) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate
PubChem CID63756668
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Namemethyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1c(C#N)c(C)nn1C
InChIInChI=1S/C14H20N4O2/c1-10-12(9-15)14(17(2)16-10)18-7-5-4-6-11(18)8-13(19)20-3/h11H,4-8H2,1-3H3
InChIKeyXPZATEOQJNZMGA-UHFFFAOYSA-N
XLogP1.52
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

CID 55241135
CID 55241135
CID 55258729
CID 55258729
CID 63752146
CID 63752146
CID 63756150
CID 63756150
CID 63756270
CID 63756270
CID 63756327
CID 63756327
CID 63756331
CID 63756331
CID 63756790
CID 63756790
CID 63756846
CID 63756846
CID 63757139
CID 63757139
CID 63757189
CID 63757189
CID 63757311
CID 63757311

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate (CID 63756668) is methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1c(C#N)c(C)nn1C.
What is the InChIKey of methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate?
The InChIKey is XPZATEOQJNZMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-12(9-15)14(17(2)16-10)18-7-5-4-6-11(18)8-13(19)20-3/h11H,4-8H2,1-3H3.
What are the key properties of methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate?
methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-cyano-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]acetate is sourced from PubChem (CID 63756668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).