ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate

C16H22N2O3 — CID 76892741

IUPACethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)13-9-6-10-18(11-13)15(19)14(17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,17H2,1H3
InChIKeyXQKHEDGMBDAJFG-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.49
Rot. Bonds4

About ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate

ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate (PubChem CID 76892741) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
PubChem CID76892741
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)13-9-6-10-18(11-13)15(19)14(17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,17H2,1H3
InChIKeyXQKHEDGMBDAJFG-UHFFFAOYSA-N
XLogP1.49
TPSA72.63 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-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

ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl (3R)-1-[(2R)-2-phenyl-2-pyrazol-1-ylacetyl]piperidine-3-carboxylate
CID 95383565
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
1-(2-amino-2-phenylacetyl)-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119323511
ethyl 1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate;hydrochloride
CID 120872698
ethyl 1-[(2S)-2-aminobutanoyl]piperidine-3-carboxylate
CID 79025048
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
ethyl 1-[(2R)-2-amino-3-methylbutanoyl]piperidine-3-carboxylate
CID 79011559
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-[N'-methyl-N-(3-phenylbutyl)carbamimidoyl]piperidine-3-carboxylate
CID 110993561

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate (CID 76892741) is ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(N)c2ccccc2)C1.
What is the InChIKey of ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate?
The InChIKey is XQKHEDGMBDAJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)13-9-6-10-18(11-13)15(19)14(17)12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11,17H2,1H3.
What are the key properties of ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate?
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate is sourced from PubChem (CID 76892741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).