ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

C15H28N2O3 — CID 60718783

IUPACethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)N(CC)CC)CC1
InChIInChI=1S/C15H28N2O3/c1-5-16(6-2)14(18)12(4)17-10-8-13(9-11-17)15(19)20-7-3/h12-13H,5-11H2,1-4H3
InChIKeyOFKUFNBEYKKTJN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.52
Rot. Bonds6

About ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 60718783) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID60718783
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)N(CC)CC)CC1
InChIInChI=1S/C15H28N2O3/c1-5-16(6-2)14(18)12(4)17-10-8-13(9-11-17)15(19)20-7-3/h12-13H,5-11H2,1-4H3
InChIKeyOFKUFNBEYKKTJN-UHFFFAOYSA-N
XLogP1.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(1-methoxy-1-oxopropan-2-yl)piperidine-4-carboxylate
CID 47016252
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730779
ethyl 1-(1-aminoethyl)piperidine-4-carboxylate
CID 142132349
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl 1-[1-(butylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60718676
ethyl 1-(4-methoxy-3-methyl-4-oxobutan-2-yl)piperidine-4-carboxylate
CID 79414013
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920382
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-methanidylpiperidine-4-carboxylate
CID 21030013
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 60718783) is ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(=O)N(CC)CC)CC1.
What is the InChIKey of ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is OFKUFNBEYKKTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-16(6-2)14(18)12(4)17-10-8-13(9-11-17)15(19)20-7-3/h12-13H,5-11H2,1-4H3.
What are the key properties of ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 60718783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).