ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate

C16H22N2O3 — CID 60894842

IUPACethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)15(19)17-14-8-10-18(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyPVDALGMHEPKNEQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate

ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate (PubChem CID 60894842) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
PubChem CID60894842
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)15(19)17-14-8-10-18(11-9-14)12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3,(H,17,19)
InChIKeyPVDALGMHEPKNEQ-UHFFFAOYSA-N
XLogP1.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate 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

ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
ethyl (E)-3-[(1-benzylpiperidin-4-yl)amino]-2-cyanoprop-2-enoate
CID 2797843
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
[(1-benzylpiperidin-4-yl)amino]carbamic acid
CID 68925695
1-(1-benzylpiperidin-4-yl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890906
ethyl 3-[(1-benzylpiperidin-4-yl)carbamoyl]-5-nitrobenzoate
CID 46798638
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate (CID 60894842) is ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate?
The InChIKey is PVDALGMHEPKNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)15(19)17-14-8-10-18(11-9-14)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 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate?
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate has a molecular weight of 290.36 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 60894842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).