[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

C17H20Cl2N2O4 — CID 16533911

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-11-4-2-3-7-21(11)15(22)10-25-16(23)9-20-17(24)13-6-5-12(18)8-14(13)19/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,20,24)
InChIKeySUNZRFOHOPIQIF-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.67
Rot. Bonds5

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 16533911) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID16533911
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCC1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O4/c1-11-4-2-3-7-21(11)15(22)10-25-16(23)9-20-17(24)13-6-5-12(18)8-14(13)19/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,20,24)
InChIKeySUNZRFOHOPIQIF-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 16533911) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is CC1CCCCN1C(=O)COC(=O)CNC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is SUNZRFOHOPIQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c1-11-4-2-3-7-21(11)15(22)10-25-16(23)9-20-17(24)13-6-5-12(18)8-14(13)19/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,20,24).
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 387.26 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 16533911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).