methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate

C12H20N2O3 — CID 115280662

IUPACmethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(=O)N1CCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-5-2-3-6-14(10)9-11(15)13-7-4-8-13/h10H,2-9H2,1H3
InChIKeyVTMZZSFJFMCEKA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.25
Rot. Bonds3

About methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate

methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 115280662) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
PubChem CID115280662
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CC(=O)N1CCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-5-2-3-6-14(10)9-11(15)13-7-4-8-13/h10H,2-9H2,1H3
InChIKeyVTMZZSFJFMCEKA-UHFFFAOYSA-N
XLogP0.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
methyl 4-[2-(azetidin-1-yl)-2-oxoethyl]morpholine-3-carboxylate
CID 115670529
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
methyl 1-[2-(azocan-1-yl)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971582
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate (CID 115280662) is methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CC(=O)N1CCC1.
What is the InChIKey of methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is VTMZZSFJFMCEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)10-5-2-3-6-14(10)9-11(15)13-7-4-8-13/h10H,2-9H2,1H3.
What are the key properties of methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate?
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 115280662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).