[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

C15H18Cl2N2O3 — CID 2371635

IUPAC[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCC1CCN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-9-2-4-19(5-3-9)13(20)8-22-15(21)11-6-10(16)7-12(17)14(11)18/h6-7,9H,2-5,8,18H2,1H3
InChIKeyPOWHYXYHDZNKLQ-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.99
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (PubChem CID 2371635) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
PubChem CID2371635
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
SMILESCC1CCN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-9-2-4-19(5-3-9)13(20)8-22-15(21)11-6-10(16)7-12(17)14(11)18/h6-7,9H,2-5,8,18H2,1H3
InChIKeyPOWHYXYHDZNKLQ-UHFFFAOYSA-N
XLogP2.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.99
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-(Cyclopropylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2098298
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-3,5-dichlorobenzoate
CID 2371630
(2-Amino-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2389454
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-[2-Cyanoethyl(methyl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2399414
[2-Oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 2627495
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 2-amino-3,5-dichlorobenzoate
CID 3472299
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 4568191
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2086267
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2095375
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371624
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371659

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate (CID 2371635) is [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is CC1CCN(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
The InChIKey is POWHYXYHDZNKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-9-2-4-19(5-3-9)13(20)8-22-15(21)11-6-10(16)7-12(17)14(11)18/h6-7,9H,2-5,8,18H2,1H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate?
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate has a molecular weight of 345.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate is sourced from PubChem (CID 2371635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).