methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate

C19H21N3O4 — CID 1446442

IUPACmethyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H21N3O4/c1-26-17(23)14-4-6-16(7-5-14)21-18(24)22-11-8-19(25,9-12-22)15-3-2-10-20-13-15/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyCOGLUIVMNAULQD-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.38
Rot. Bonds3

About methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate

methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate (PubChem CID 1446442) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate
PubChem CID1446442
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1
InChIInChI=1S/C19H21N3O4/c1-26-17(23)14-4-6-16(7-5-14)21-18(24)22-11-8-19(25,9-12-22)15-3-2-10-20-13-15/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,21,24)
InChIKeyCOGLUIVMNAULQD-UHFFFAOYSA-N
XLogP2.38
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate (CID 1446442) is methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)N2CCC(O)(c3cccnc3)CC2)cc1.
What is the InChIKey of methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate?
The InChIKey is COGLUIVMNAULQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-26-17(23)14-4-6-16(7-5-14)21-18(24)22-11-8-19(25,9-12-22)15-3-2-10-20-13-15/h2-7,10,13,25H,8-9,11-12H2,1H3,(H,21,24).
What are the key properties of methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate?
methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate has a molecular weight of 355.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 1446442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).