methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate

C28H30N2O5 — CID 58508582

IUPACmethyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(OC)c2)cc1NC(=O)c1cc(C2CCN(C)CC2)ccc1O
InChIInChI=1S/C28H30N2O5/c1-30-13-11-18(12-14-30)20-8-10-26(31)24(16-20)27(32)29-25-17-21(7-9-23(25)28(33)35-3)19-5-4-6-22(15-19)34-2/h4-10,15-18,31H,11-14H2,1-3H3,(H,29,32)
InChIKeyTZENRUJKRGTPSC-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.92
Rot. Bonds6

About methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate

methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate (PubChem CID 58508582) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate
PubChem CID58508582
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Namemethyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate
SMILESCOC(=O)c1ccc(-c2cccc(OC)c2)cc1NC(=O)c1cc(C2CCN(C)CC2)ccc1O
InChIInChI=1S/C28H30N2O5/c1-30-13-11-18(12-14-30)20-8-10-26(31)24(16-20)27(32)29-25-17-21(7-9-23(25)28(33)35-3)19-5-4-6-22(15-19)34-2/h4-10,15-18,31H,11-14H2,1-3H3,(H,29,32)
InChIKeyTZENRUJKRGTPSC-UHFFFAOYSA-N
XLogP4.92
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate?
The IUPAC name of methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate (CID 58508582) is methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate.
What is the SMILES notation for methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate?
The canonical SMILES for methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate is COC(=O)c1ccc(-c2cccc(OC)c2)cc1NC(=O)c1cc(C2CCN(C)CC2)ccc1O.
What is the InChIKey of methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate?
The InChIKey is TZENRUJKRGTPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-30-13-11-18(12-14-30)20-8-10-26(31)24(16-20)27(32)29-25-17-21(7-9-23(25)28(33)35-3)19-5-4-6-22(15-19)34-2/h4-10,15-18,31H,11-14H2,1-3H3,(H,29,32).
What are the key properties of methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate?
methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate has a molecular weight of 474.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-5-(1-methylpiperidin-4-yl)benzoyl]amino]-4-(3-methoxyphenyl)benzoate is sourced from PubChem (CID 58508582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).