ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate

C19H22ClN3O3 — CID 14989326

IUPACethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-2-25-19(24)15-3-5-16(6-4-15)26-13-14-9-11-23(12-10-14)18-8-7-17(20)21-22-18/h3-8,14H,2,9-13H2,1H3
InChIKeyGZSXKXKTJZQNGQ-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.60
Rot. Bonds6

About ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate

ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate (PubChem CID 14989326) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
PubChem CID14989326
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Nameethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC2CCN(c3ccc(Cl)nn3)CC2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-2-25-19(24)15-3-5-16(6-4-15)26-13-14-9-11-23(12-10-14)18-8-7-17(20)21-22-18/h3-8,14H,2,9-13H2,1H3
InChIKeyGZSXKXKTJZQNGQ-UHFFFAOYSA-N
XLogP3.60
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate with MolForge

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Related Compounds

ethyl 4-[2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethoxy]benzoate
CID 19773562
ethyl 4-[3-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]propoxy]benzoate
CID 14989315
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
2-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]acetamide
CID 54987893
ethyl 4-[2-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
CID 142759915
1-[4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]phenyl]-N-prop-2-enoxymethanimine
CID 5273152
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
[1-(6-chloropyridazin-3-yl)piperidin-4-yl] 4-(methylsulfonylmethyl)benzoate
CID 99807135
3-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]propanoic acid
CID 55049699
ethyl 4-[2-[1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidin-4-yl]ethoxy]benzoate
CID 67836442
ethyl 4-(piperidin-3-ylmethoxy)benzoate
CID 24902373

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate?
The IUPAC name of ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate (CID 14989326) is ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate.
What is the SMILES notation for ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate?
The canonical SMILES for ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate is CCOC(=O)c1ccc(OCC2CCN(c3ccc(Cl)nn3)CC2)cc1.
What is the InChIKey of ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate?
The InChIKey is GZSXKXKTJZQNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-2-25-19(24)15-3-5-16(6-4-15)26-13-14-9-11-23(12-10-14)18-8-7-17(20)21-22-18/h3-8,14H,2,9-13H2,1H3.
What are the key properties of ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate?
ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate has a molecular weight of 375.86 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(6-chloropyridazin-3-yl)piperidin-4-yl]methoxy]benzoate is sourced from PubChem (CID 14989326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).