ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate

C13H26N4O3 — CID 83117025

IUPACethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)N(C)C)CC1
InChIInChI=1S/C13H26N4O3/c1-4-20-13(19)17-9-5-11(6-10-17)14-7-8-15-12(18)16(2)3/h11,14H,4-10H2,1-3H3,(H,15,18)
InChIKeyKCEHAUZFCYNRCZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.47
Rot. Bonds5

About ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate (PubChem CID 83117025) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
PubChem CID83117025
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Nameethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)N(C)C)CC1
InChIInChI=1S/C13H26N4O3/c1-4-20-13(19)17-9-5-11(6-10-17)14-7-8-15-12(18)16(2)3/h11,14H,4-10H2,1-3H3,(H,15,18)
InChIKeyKCEHAUZFCYNRCZ-UHFFFAOYSA-N
XLogP0.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
1,1-dimethyl-3-[2-[(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 83116217
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
3-[2-[(4-hydroxycyclohexyl)amino]ethyl]-1,1-dimethylurea
CID 106595003
ethyl 4-[2-(2-ethoxy-2-oxoethoxy)ethylamino]piperidine-1-carboxylate
CID 103235028
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-(7-methyloctylamino)piperidine-1-carboxylate
CID 43771292

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate (CID 83117025) is ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(=O)N(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate?
The InChIKey is KCEHAUZFCYNRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-4-20-13(19)17-9-5-11(6-10-17)14-7-8-15-12(18)16(2)3/h11,14H,4-10H2,1-3H3,(H,15,18).
What are the key properties of ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate has a molecular weight of 286.38 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 83117025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).