ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate

C12H23N3O3 — CID 43226799

IUPACethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-18-12(17)15-8-4-11(5-9-15)14-7-6-13-10(2)16/h11,14H,3-9H2,1-2H3,(H,13,16)
InChIKeyGABQSZBHFNDUAO-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.33
Rot. Bonds5

About ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate

ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate (PubChem CID 43226799) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
PubChem CID43226799
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nameethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(C)=O)CC1
InChIInChI=1S/C12H23N3O3/c1-3-18-12(17)15-8-4-11(5-9-15)14-7-6-13-10(2)16/h11,14H,3-9H2,1-2H3,(H,13,16)
InChIKeyGABQSZBHFNDUAO-UHFFFAOYSA-N
XLogP0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.33
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-(dimethylcarbamoylamino)ethylamino]piperidine-1-carboxylate
CID 83117025
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
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
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate
CID 25010865
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate (CID 43226799) is ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(C)=O)CC1.
What is the InChIKey of ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
The InChIKey is GABQSZBHFNDUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-18-12(17)15-8-4-11(5-9-15)14-7-6-13-10(2)16/h11,14H,3-9H2,1-2H3,(H,13,16).
What are the key properties of ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate?
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 43226799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).