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

C14H26N2O3 — CID 94822878

IUPACethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1CC(=O)N(CC)CC
InChIInChI=1S/C14H26N2O3/c1-4-15(5-2)13(17)11-16-10-8-7-9-12(16)14(18)19-6-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyCYZWABFQMIIGLX-GFCCVEGCSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds6

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

ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate (PubChem CID 94822878) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
PubChem CID94822878
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCCN1CC(=O)N(CC)CC
InChIInChI=1S/C14H26N2O3/c1-4-15(5-2)13(17)11-16-10-8-7-9-12(16)14(18)19-6-3/h12H,4-11H2,1-3H3/t12-/m1/s1
InChIKeyCYZWABFQMIIGLX-GFCCVEGCSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
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
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl 1-[2-(azocan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 62028766
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(2-methylidenebutyl)pyrrolidine-2-carboxylate
CID 66037356
methyl (2R)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidine-2-carboxylate
CID 79834067
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
CID 115280563
CID 59417753
CID 59417753
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The IUPAC name of ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate (CID 94822878) is ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate is CCOC(=O)[C@H]1CCCCN1CC(=O)N(CC)CC.
What is the InChIKey of ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
The InChIKey is CYZWABFQMIIGLX-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15(5-2)13(17)11-16-10-8-7-9-12(16)14(18)19-6-3/h12H,4-11H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate?
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate is sourced from PubChem (CID 94822878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).