methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate

C11H18N2O2 — CID 103994008

IUPACmethyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C11H18N2O2/c1-9(10(14)15-3)13-6-4-11(2,8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKeyRXCXECHJTAJPHE-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.17
Rot. Bonds2

About methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate

methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate (PubChem CID 103994008) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
PubChem CID103994008
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(C)(C#N)CC1
InChIInChI=1S/C11H18N2O2/c1-9(10(14)15-3)13-6-4-11(2,8-12)5-7-13/h9H,4-7H2,1-3H3
InChIKeyRXCXECHJTAJPHE-UHFFFAOYSA-N
XLogP1.17
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-cyano-4-methylpiperidin-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

Related Compounds

N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 113362974
N-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 103993891
methyl 2-(4,4-diethylpiperidin-1-yl)propanoate
CID 63158633
methyl 2-(2-azaspiro[4.4]nonan-2-yl)propanoate
CID 130161407
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
4-cyano-4-methylpiperidine-1-carboxamide
CID 103975376
1-(4-methoxybutan-2-yl)-4-methylpiperidine-4-carbonitrile
CID 103993923
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
methyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylbutanoate
CID 81097557
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
methyl (2R)-2-[4-(2-cyclohexylacetyl)piperazin-1-yl]propanoate
CID 95292536

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate?
The IUPAC name of methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate (CID 103994008) is methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate is COC(=O)C(C)N1CCC(C)(C#N)CC1.
What is the InChIKey of methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate?
The InChIKey is RXCXECHJTAJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-9(10(14)15-3)13-6-4-11(2,8-12)5-7-13/h9H,4-7H2,1-3H3.
What are the key properties of methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate?
methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate has a molecular weight of 210.28 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-cyano-4-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 103994008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).