ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate

C16H22N2O3 — CID 5127120

IUPACethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-14(9-11-18)17-15(19)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyJHCOKJXRSOSATI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds4

About ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate (PubChem CID 5127120) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate
PubChem CID5127120
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-14(9-11-18)17-15(19)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyJHCOKJXRSOSATI-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-[(2-phenylacetyl)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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate (CID 5127120) is ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2ccccc2)CC1.
What is the InChIKey of ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate?
The InChIKey is JHCOKJXRSOSATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)18-10-8-14(9-11-18)17-15(19)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-phenylacetyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 5127120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).