methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate

C11H20N2O3 — CID 116860649

IUPACmethyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
SMILESCOC(=O)C(NC(C)=O)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)12-10(11(15)16-3)9-5-4-6-13(2)7-9/h9-10H,4-7H2,1-3H3,(H,12,14)
InChIKeyKXKVFHLBSNCJJL-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds3

About methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate

methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate (PubChem CID 116860649) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
PubChem CID116860649
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
SMILESCOC(=O)C(NC(C)=O)C1CCCN(C)C1
InChIInChI=1S/C11H20N2O3/c1-8(14)12-10(11(15)16-3)9-5-4-6-13(2)7-9/h9-10H,4-7H2,1-3H3,(H,12,14)
InChIKeyKXKVFHLBSNCJJL-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-acetamido-2-(1-methylpiperidin-3-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

(S)-methyl 4-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 944347
(2S)-methyl 4-methyl-2-(2-methylpiperidine-1-carboxamido)pentanoate
CID 16682389
(2R,4R)-1-tert-butyl 2-methyl 4-aminopiperidine-1,2-dicarboxylate
CID 54209755
(2S,4S)-1-tert-Butyl 2-methyl 4-aminopiperidine-1,2-dicarboxylate
CID 11425406
Methyl 4-methylpiperidine-2-carboxylate
CID 15511834
Tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 24729647
1-tert-Butyl 2-methyl 4-aminopiperidine-1,2-dicarboxylate
CID 45043183
Methyl 2-{[(tert-butoxy)carbonyl]amino}-3-(piperidin-4-yl)propanoate
CID 69762135
Methyl 3-methylpiperidine-2-carboxylate hydrochloride
CID 89739579
Methyl 4-methylpiperidine-2-carboxylate hydrochloride
CID 75422084
tert-Butyl 4-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-1-carboxylate
CID 156644326
Methyl 3-methylpiperidine-2-carboxylate
CID 85665007

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate?
The IUPAC name of methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate (CID 116860649) is methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate is COC(=O)C(NC(C)=O)C1CCCN(C)C1.
What is the InChIKey of methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate?
The InChIKey is KXKVFHLBSNCJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(14)12-10(11(15)16-3)9-5-4-6-13(2)7-9/h9-10H,4-7H2,1-3H3,(H,12,14).
What are the key properties of methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate?
methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate has a molecular weight of 228.29 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate is sourced from PubChem (CID 116860649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).