ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate

C16H22N2O3 — CID 3300

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IUPACethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyQLGIFPJNYPWBMQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.29
Rot. Bonds5

About ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate

ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate (PubChem CID 3300) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
PubChem CID3300
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19)
InChIKeyQLGIFPJNYPWBMQ-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate (CID 3300) is ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)CN2CCCCC2)cc1.
What is the InChIKey of ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
The InChIKey is QLGIFPJNYPWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-3-5-11-18/h6-9H,2-5,10-12H2,1H3,(H,17,19).
What are the key properties of ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate?
ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 3300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).