ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate

C16H22Cl2N2O2 — CID 170885745

IUPACethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(Cl)c(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-2-22-16(21)14(19)9-11-8-13(18)15(10-12(11)17)20-6-4-3-5-7-20/h8,10,14H,2-7,9,19H2,1H3
InChIKeyANZQCPIKRBUKAX-UHFFFAOYSA-N
MW345.27 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate

ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate (PubChem CID 170885745) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
PubChem CID170885745
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Nameethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(Cl)c(N2CCCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O2/c1-2-22-16(21)14(19)9-11-8-13(18)15(10-12(11)17)20-6-4-3-5-7-20/h8,10,14H,2-7,9,19H2,1H3
InChIKeyANZQCPIKRBUKAX-UHFFFAOYSA-N
XLogP3.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate 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 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
ethyl 2-amino-3-(3-nitro-4-piperidin-1-ylphenyl)propanoate
CID 170884816
methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884134
ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate
CID 170884980
ethyl 2-amino-3-(2,5-dimethoxy-4-morpholin-4-ylphenyl)propanoate
CID 170885779
2-amino-3-(5-chloro-2-piperidin-1-ylphenyl)propanoic acid
CID 117454603
ethyl 7-chloro-1-ethyl-4-oxo-6-piperidin-1-ylquinoline-3-carboxylate
CID 141190210
5-chloro-2-ethoxy-4-pyrrolidin-1-ylbenzoic acid
CID 168515788
ethyl 2-amino-3-(2-amino-5-chlorophenyl)propanoate
CID 170884905
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-amino-3-(4-chloro-1-methylpyrazol-3-yl)propanoate
CID 170884718

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate (CID 170885745) is ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate is CCOC(=O)C(N)Cc1cc(Cl)c(N2CCCCC2)cc1Cl.
What is the InChIKey of ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate?
The InChIKey is ANZQCPIKRBUKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-2-22-16(21)14(19)9-11-8-13(18)15(10-12(11)17)20-6-4-3-5-7-20/h8,10,14H,2-7,9,19H2,1H3.
What are the key properties of ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate?
ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate has a molecular weight of 345.27 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate is sourced from PubChem (CID 170885745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).