methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate

C15H20N2O3 — CID 83126327

IUPACmethyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccc(C(C)=O)nc1
InChIInChI=1S/C15H20N2O3/c1-11(18)14-7-6-13(10-16-14)17-8-4-3-5-12(17)9-15(19)20-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyUVTWJEVQTNPMMG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate

methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate (PubChem CID 83126327) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
PubChem CID83126327
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1c1ccc(C(C)=O)nc1
InChIInChI=1S/C15H20N2O3/c1-11(18)14-7-6-13(10-16-14)17-8-4-3-5-12(17)9-15(19)20-2/h6-7,10,12H,3-5,8-9H2,1-2H3
InChIKeyUVTWJEVQTNPMMG-UHFFFAOYSA-N
XLogP2.21
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-(6-acetyl-3-pyridinyl)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

Piperazine carbamate/urea derivative 3
CID 89487899
2-(1-Methylpiperidin-2-yl)-1-pyridin-2-ylethanone
CID 44349984
Methyl 3-piperidin-1-ylpyridine-2-carboxylate
CID 84587667
Ethyl 2-pyridineglyoxylate
CID 9989820
Methyl 3-oxo-3-(pyridin-2-yl)propanoate
CID 12672461
1-Ethyl-1,5-naphthyridin-4(1H)-one
CID 12705288
Methyl 2-(5-aminopyridin-2-yl)acetate
CID 53659969
1-[3-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-pyridinyl]butan-1-one
CID 125536132
Ethyl 2-(5-fluoropyridin-2-yl)-2-oxoacetate
CID 56946316
Ethyl 2,2-difluoro-2-pyridin-2-ylacetate;ethyl 2-oxo-2-pyridin-2-ylacetate
CID 70260881
Ethyl 2,2-difluoro-2-(5-morpholin-4-ylpyridin-2-yl)acetate
CID 71164845
5-(4-Fluoropiperidin-1-yl)pyridine-2-carbaldehyde
CID 121249830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate (CID 83126327) is methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1c1ccc(C(C)=O)nc1.
What is the InChIKey of methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate?
The InChIKey is UVTWJEVQTNPMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)14-7-6-13(10-16-14)17-8-4-3-5-12(17)9-15(19)20-2/h6-7,10,12H,3-5,8-9H2,1-2H3.
What are the key properties of methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate?
methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate has a molecular weight of 276.34 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(6-acetyl-3-pyridinyl)piperidin-2-yl]acetate is sourced from PubChem (CID 83126327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).