ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate

C14H28N4O3 — CID 108994613

IUPACethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-4-21-14(20)18-8-5-12(6-9-18)16-11-13(19)15-7-10-17(2)3/h12,16H,4-11H2,1-3H3,(H,15,19)
InChIKeyNHJUQFJINCEVNQ-UHFFFAOYSA-N
MW300.40 g/mol
LogP-0.13
Rot. Bonds7

About ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 108994613) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID108994613
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC Nameethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NCCN(C)C)CC1
InChIInChI=1S/C14H28N4O3/c1-4-21-14(20)18-8-5-12(6-9-18)16-11-13(19)15-7-10-17(2)3/h12,16H,4-11H2,1-3H3,(H,15,19)
InChIKeyNHJUQFJINCEVNQ-UHFFFAOYSA-N
XLogP-0.13
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[2-[2-(dimethylamino)ethylamino]-2-oxoacetyl]piperazine-1-carboxylate
CID 108529556
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[[N-[3-(dimethylamino)propyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328247

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate (CID 108994613) is ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)NCCN(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is NHJUQFJINCEVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-4-21-14(20)18-8-5-12(6-9-18)16-11-13(19)15-7-10-17(2)3/h12,16H,4-11H2,1-3H3,(H,15,19).
What are the key properties of ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 108994613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).