methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate

C13H24N2O3 — CID 115279176

IUPACmethyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCCN(CC)C(=O)CN1CCCCC1C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10-15-9-7-6-8-11(15)13(17)18-3/h11H,4-10H2,1-3H3
InChIKeyFDAMJYXOMHWIOP-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.88
Rot. Bonds5

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

methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 115279176) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
PubChem CID115279176
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCCN(CC)C(=O)CN1CCCCC1C(=O)OC
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10-15-9-7-6-8-11(15)13(17)18-3/h11H,4-10H2,1-3H3
InChIKeyFDAMJYXOMHWIOP-UHFFFAOYSA-N
XLogP0.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
methyl (2R)-1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79835226
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-(2,3-dichloroprop-2-enyl)piperidine-2-carboxylate
CID 81002268
methyl (2R)-1-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 115371337
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2S)-1-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 124813786

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate (CID 115279176) is methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate is CCN(CC)C(=O)CN1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is FDAMJYXOMHWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10-15-9-7-6-8-11(15)13(17)18-3/h11H,4-10H2,1-3H3.
What are the key properties of methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 115279176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).