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

C20H25N3O3 — CID 67035861

IUPACethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
SMILESCCOC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-2-25-20(24)16-5-3-4-15(12-16)14-26-18-8-10-23(11-9-18)19-7-6-17(21)13-22-19/h3-7,12-13,18H,2,8-11,14,21H2,1H3
InChIKeyYKTABKDWVLXAIS-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.03
Rot. Bonds6

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

ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate (PubChem CID 67035861) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate.

Molecular Properties

Compound Nameethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
PubChem CID67035861
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Nameethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
SMILESCCOC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1
InChIInChI=1S/C20H25N3O3/c1-2-25-20(24)16-5-3-4-15(12-16)14-26-18-8-10-23(11-9-18)19-7-6-17(21)13-22-19/h3-7,12-13,18H,2,8-11,14,21H2,1H3
InChIKeyYKTABKDWVLXAIS-UHFFFAOYSA-N
XLogP3.03
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate
CID 57461822
6-(4-ethoxypiperidin-1-yl)pyridin-3-amine
CID 61220344
methyl 3-[[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]oxymethyl]benzoate
CID 71110530
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
CID 59785799
ethyl 3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]amino]benzoate
CID 9228267
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
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
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
ethyl 2-[4-(5-amino-2-pyridinyl)piperazin-1-yl]acetate
CID 43462036
N-ethyl-6-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]pyridine-3-carboxamide
CID 133422228

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The IUPAC name of ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate (CID 67035861) is ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate.
What is the SMILES notation for ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The canonical SMILES for ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate is CCOC(=O)c1cccc(COC2CCN(c3ccc(N)cn3)CC2)c1.
What is the InChIKey of ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
The InChIKey is YKTABKDWVLXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-2-25-20(24)16-5-3-4-15(12-16)14-26-18-8-10-23(11-9-18)19-7-6-17(21)13-22-19/h3-7,12-13,18H,2,8-11,14,21H2,1H3.
What are the key properties of ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate?
ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(5-amino-2-pyridinyl)piperidin-4-yl]oxymethyl]benzoate is sourced from PubChem (CID 67035861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).