methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate

C13H24N2O2 — CID 116825136

IUPACmethyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
SMILESCOC(=O)C(C1CCNCC1)C1CCN(C)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-5-11(9-15)12(13(16)17-2)10-3-6-14-7-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyGTDXVDDAQOIOSU-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds3

About methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate

methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate (PubChem CID 116825136) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate.

Molecular Properties

Compound Namemethyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
PubChem CID116825136
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate
SMILESCOC(=O)C(C1CCNCC1)C1CCN(C)C1
InChIInChI=1S/C13H24N2O2/c1-15-8-5-11(9-15)12(13(16)17-2)10-3-6-14-7-4-10/h10-12,14H,3-9H2,1-2H3
InChIKeyGTDXVDDAQOIOSU-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate 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

rac-methyl 2-((3R,4R)-4-methylpyrrolidin-3-yl)acetate hydrochloride
CID 132327855
methyl (1R,5S,6S)-6-methyl-3-azabicyclo[3.1.0]hexane-6-carboxylate hydrochloride
CID 170913461
Methyl alpha-methyl-4-piperidineacetate
CID 25220740
methyl (1R,5S,6R)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 39871581
Methyl 2-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine-4-carboxylate
CID 66978624
methyl 2-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-4-carboxylate;hydrochloride
CID 66978641
methyl 2-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-4-carboxylate
CID 66978642
methyl 2-[[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-4-carboxylate
CID 66978669
Methyl 2-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-4-carboxylate
CID 66978670
Methyl 2-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]piperidine-4-carboxylate;hydrochloride
CID 66978692
Ethyl 2-(3-fluoropiperidin-4-yl)-4-(methylamino)butanoate
CID 69705478
methyl (2R,4R)-2-[(3,3-difluoropyrrolidin-1-yl)methyl]piperidine-4-carboxylate
CID 124563713

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate?
The IUPAC name of methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate (CID 116825136) is methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate.
What is the SMILES notation for methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate?
The canonical SMILES for methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate is COC(=O)C(C1CCNCC1)C1CCN(C)C1.
What is the InChIKey of methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate?
The InChIKey is GTDXVDDAQOIOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-8-5-11(9-15)12(13(16)17-2)10-3-6-14-7-4-10/h10-12,14H,3-9H2,1-2H3.
What are the key properties of methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate?
methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate has a molecular weight of 240.35 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methylpyrrolidin-3-yl)-2-piperidin-4-ylacetate is sourced from PubChem (CID 116825136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).