(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate

C14H17ClN2O3 — CID 78997712

IUPAC(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate
SMILESNc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-8-10(4-5-12(11)16)14(19)20-9-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,16H2
InChIKeyIFJXZFRTIBWCQW-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.09
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate

(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate (PubChem CID 78997712) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate
PubChem CID78997712
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate
SMILESNc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-11-8-10(4-5-12(11)16)14(19)20-9-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,16H2
InChIKeyIFJXZFRTIBWCQW-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(azepan-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2432654
(2-oxo-2-piperidin-1-ylethyl) 3-amino-4,5-dichlorobenzoate
CID 61322937
(2-oxo-2-piperidin-1-ylethyl) 5,6-dichloropyridine-3-carboxylate
CID 4112626
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 7968028
(2-oxo-2-pyrrolidin-1-ylethyl) 3-amino-4-(dimethylamino)benzoate
CID 61323137
(2-oxo-2-pyrrolidin-1-ylethyl) 2-chloropyridine-4-carboxylate
CID 23773721
[2-(azepan-1-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 4132408
[2-(azepan-1-yl)-2-oxoethyl] benzoate
CID 2357110
[2-(azepan-1-yl)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 23935201
[2-(azepan-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 4828916
[2-(azepan-1-yl)-2-oxoethyl] 4-nitrobenzoate
CID 2428827
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate (CID 78997712) is (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate is Nc1ccc(C(=O)OCC(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate?
The InChIKey is IFJXZFRTIBWCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-11-8-10(4-5-12(11)16)14(19)20-9-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,9,16H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate?
(2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate has a molecular weight of 296.75 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 4-amino-3-chlorobenzoate is sourced from PubChem (CID 78997712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).