methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate

C19H23N3O3 — CID 57461822

IUPACmethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-24-19(23)15-4-2-3-14(11-15)13-25-17-7-9-22(10-8-17)18-6-5-16(20)12-21-18/h2-6,11-12,17H,7-10,13,20H2,1H3
InChIKeyIWMYBFPLYDZCEW-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.64
Rot. Bonds5

About methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate

methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate (PubChem CID 57461822) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
PubChem CID57461822
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Namemethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
SMILESCOC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1
InChIInChI=1S/C19H23N3O3/c1-24-19(23)15-4-2-3-14(11-15)13-25-17-7-9-22(10-8-17)18-6-5-16(20)12-21-18/h2-6,11-12,17H,7-10,13,20H2,1H3
InChIKeyIWMYBFPLYDZCEW-UHFFFAOYSA-N
XLogP2.64
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
CID 67035861
methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate
CID 71110530
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
3-[(3-methoxycarbonylphenyl)methoxy]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 146487208
methyl 3-[[1-(5-bromo-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 71077920
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228
3-[(4,4-dimethylcyclohexyl)oxymethyl]benzohydrazide
CID 114342641
methyl 2-(4-phenylmethoxypiperidin-1-yl)benzoate
CID 139942928
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
methyl 3-[(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)oxymethyl]benzoate
CID 19797457
3-[[1-[5-[2-[5-(4-fluorophenyl)-3-methyl-1-benzofuran-2-yl]-2-oxoethyl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoic acid
CID 159414721
3-[4-(5-amino-2-pyridinyl)piperazin-1-yl]benzoic acid
CID 141266072

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The IUPAC name of methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate (CID 57461822) is methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate.
What is the SMILES notation for methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The canonical SMILES for methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate is COC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1.
What is the InChIKey of methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The InChIKey is IWMYBFPLYDZCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-24-19(23)15-4-2-3-14(11-15)13-25-17-7-9-22(10-8-17)18-6-5-16(20)12-21-18/h2-6,11-12,17H,7-10,13,20H2,1H3.
What are the key properties of methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate has a molecular weight of 341.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate is sourced from PubChem (CID 57461822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).