methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate

C12H20N2O3 — CID 121208947

IUPACmethyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CC1CCCNC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-4-5-11(15)14(10)8-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyMCTGHMPQYJGGNP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds3

About methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate

methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate (PubChem CID 121208947) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
PubChem CID121208947
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CC1CCCNC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-4-5-11(15)14(10)8-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyMCTGHMPQYJGGNP-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
CID 10944700
dimethyl 7-(piperidin-3-ylmethyl)-7-azabicyclo[2.2.1]heptane-2,3-dicarboxylate;hydrochloride
CID 120854231
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204
1-methyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105450979
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
2-[1-(cyclopentylmethyl)-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide
CID 139329270
methyl (3S,4R)-4-phenyl-1-(piperidin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 120848400
1-cyclopropyl-2-(piperidin-3-ylmethyl)pyrazolidin-3-one
CID 105481028
4-(hydroxymethyl)-1-(piperidin-3-ylmethyl)pyrrolidin-2-one
CID 168661808

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate (CID 121208947) is methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1CC1CCCNC1.
What is the InChIKey of methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate?
The InChIKey is MCTGHMPQYJGGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)10-4-5-11(15)14(10)8-9-3-2-6-13-7-9/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate?
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 121208947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).