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

C17H25N3O3 — CID 650899

IUPACethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
InChIKeyVNRSRVXFGIQMBW-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.63
Rot. Bonds6

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

ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate (PubChem CID 650899) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate
PubChem CID650899
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nameethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21)
InChIKeyVNRSRVXFGIQMBW-UHFFFAOYSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-(2-benzamidoethylamino)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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate (CID 650899) is ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate?
The InChIKey is VNRSRVXFGIQMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-17(22)20-12-8-15(9-13-20)18-10-11-19-16(21)14-6-4-3-5-7-14/h3-7,15,18H,2,8-13H2,1H3,(H,19,21).
What are the key properties of ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate?
ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-benzamidoethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 650899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).