methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate

C17H24N2O5 — CID 972591

IUPACmethyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C17H24N2O5/c1-22-14-9-12(17(21)24-3)13(10-15(14)23-2)18-16(20)11-19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3,(H,18,20)
InChIKeyIFTMJNPGJMLAFH-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.91
Rot. Bonds6

About methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate

methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate (PubChem CID 972591) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate
PubChem CID972591
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate
SMILESCOC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCCCC1
InChIInChI=1S/C17H24N2O5/c1-22-14-9-12(17(21)24-3)13(10-15(14)23-2)18-16(20)11-19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3,(H,18,20)
InChIKeyIFTMJNPGJMLAFH-UHFFFAOYSA-N
XLogP1.91
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The IUPAC name of methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate (CID 972591) is methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate.
What is the SMILES notation for methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The canonical SMILES for methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate is COC(=O)c1cc(OC)c(OC)cc1NC(=O)CN1CCCCC1.
What is the InChIKey of methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
The InChIKey is IFTMJNPGJMLAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-14-9-12(17(21)24-3)13(10-15(14)23-2)18-16(20)11-19-7-5-4-6-8-19/h9-10H,4-8,11H2,1-3H3,(H,18,20).
What are the key properties of methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate?
methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate has a molecular weight of 336.39 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethoxy-2-[(2-piperidin-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 972591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).