ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate

C22H32N2O6 — CID 55506636

IUPACethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H32N2O6/c1-2-29-22(27)17-5-7-20(8-6-17)30-16-19(25)15-23-9-3-4-18(14-23)21(26)24-10-12-28-13-11-24/h5-8,18-19,25H,2-4,9-16H2,1H3
InChIKeyOCMBNSYJLQSWCE-UHFFFAOYSA-N
MW420.51 g/mol
LogP1.17
Rot. Bonds8

About ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate

ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate (PubChem CID 55506636) has the molecular formula C22H32N2O6 and a molecular weight of 420.51 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
PubChem CID55506636
Molecular FormulaC22H32N2O6
Molecular Weight420.51 g/mol
Exact Mass420.23
IUPAC Nameethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate
SMILESCCOC(=O)c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C22H32N2O6/c1-2-29-22(27)17-5-7-20(8-6-17)30-16-19(25)15-23-9-3-4-18(14-23)21(26)24-10-12-28-13-11-24/h5-8,18-19,25H,2-4,9-16H2,1H3
InChIKeyOCMBNSYJLQSWCE-UHFFFAOYSA-N
XLogP1.17
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate with MolForge

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Related Compounds

[1-[2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506480
ethyl (3S)-1-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidine-3-carboxylate
CID 7187794
[1-(2-hydroxy-3-propan-2-yloxypropyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 78834727
ethyl 4-[2-hydroxy-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propoxy]benzoate
CID 24534312
1-[3-(4-ethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110909722
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
[1-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 55506560
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
ethyl 1-ethyl-3-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-2-sulfanylidenebenzimidazole-5-carboxylate
CID 24656404
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174
ethyl 3-(2-hydroxy-3-morpholin-4-ylpropoxy)benzoate
CID 17393188
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate?
The IUPAC name of ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate (CID 55506636) is ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate?
The canonical SMILES for ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate is CCOC(=O)c1ccc(OCC(O)CN2CCCC(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate?
The InChIKey is OCMBNSYJLQSWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O6/c1-2-29-22(27)17-5-7-20(8-6-17)30-16-19(25)15-23-9-3-4-18(14-23)21(26)24-10-12-28-13-11-24/h5-8,18-19,25H,2-4,9-16H2,1H3.
What are the key properties of ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate?
ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate has a molecular weight of 420.51 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxy-3-[3-(morpholine-4-carbonyl)piperidin-1-yl]propoxy]benzoate is sourced from PubChem (CID 55506636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).