methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

C14H26N2O3 — CID 78920382

IUPACmethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCN(CC)C(=O)C(C)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C14H26N2O3/c1-5-15(6-2)13(17)11(3)16-9-7-8-12(10-16)14(18)19-4/h11-12H,5-10H2,1-4H3
InChIKeyFVIMMIQJTFBALZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.13
Rot. Bonds5

About methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate

methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (PubChem CID 78920382) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
PubChem CID78920382
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namemethyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
SMILESCCN(CC)C(=O)C(C)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C14H26N2O3/c1-5-15(6-2)13(17)11(3)16-9-7-8-12(10-16)14(18)19-4/h11-12H,5-10H2,1-4H3
InChIKeyFVIMMIQJTFBALZ-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730779
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
methyl 1-[1-(3-methylbutylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920649
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
methyl (3S)-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-3-carboxylate
CID 79038248
methyl (3S)-1-[1-(methylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 79037827
ethyl (3S)-1-[1-(dimethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 81338312
methyl 1-[1-oxo-1-(prop-2-enylamino)propan-2-yl]piperidine-3-carboxylate
CID 78920485
2-[3-(aminomethyl)piperidin-1-yl]-N,N-diethylpropanamide
CID 55210780
methyl 1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78920334
2-[3-(2-aminoethyl)piperidin-1-yl]-N,N-diethylpropanamide;hydrochloride
CID 120728523
methyl (3S)-1-(1-cyanopropan-2-yl)piperidine-3-carboxylate
CID 79039548

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate (CID 78920382) is methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is CCN(CC)C(=O)C(C)N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
The InChIKey is FVIMMIQJTFBALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-15(6-2)13(17)11(3)16-9-7-8-12(10-16)14(18)19-4/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate?
methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate is sourced from PubChem (CID 78920382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).