methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

C12H22N2O3 — CID 79834067

IUPACmethyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCN(C)C(=O)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-13(2)11(15)9-14-8-6-5-7-10(14)12(16)17-3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyKQEASPSNSTWLPX-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds4

About methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate

methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 79834067) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
PubChem CID79834067
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
SMILESCCN(C)C(=O)CN1CCCC[C@@H]1C(=O)OC
InChIInChI=1S/C12H22N2O3/c1-4-13(2)11(15)9-14-8-6-5-7-10(14)12(16)17-3/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyKQEASPSNSTWLPX-SNVBAGLBSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 115279176
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 78915535
methyl 1-[2-(azetidin-1-yl)-2-oxoethyl]piperidine-2-carboxylate
CID 115280662
methyl (2R)-1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 115371331
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 115371337
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl (2R)-1-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 55256274
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate (CID 79834067) is methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is CCN(C)C(=O)CN1CCCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is KQEASPSNSTWLPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-13(2)11(15)9-14-8-6-5-7-10(14)12(16)17-3/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate?
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 79834067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).