ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate

C13H25N3O3 — CID 28586107

IUPACethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NC(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-19-13(18)16-7-5-11(6-8-16)14-9-12(17)15-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyRUTOFWLHNSRKHE-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.72
Rot. Bonds5

About ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate (PubChem CID 28586107) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
PubChem CID28586107
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)NC(C)C)CC1
InChIInChI=1S/C13H25N3O3/c1-4-19-13(18)16-7-5-11(6-8-16)14-9-12(17)15-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,17)
InChIKeyRUTOFWLHNSRKHE-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-acetylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43224142
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
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
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-[[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 108994613
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003626

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate (CID 28586107) is ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)NC(C)C)CC1.
What is the InChIKey of ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate?
The InChIKey is RUTOFWLHNSRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-19-13(18)16-7-5-11(6-8-16)14-9-12(17)15-10(2)3/h10-11,14H,4-9H2,1-3H3,(H,15,17).
What are the key properties of ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 28586107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).