methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate

C25H30N2O5 — CID 24791164

IUPACmethyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C25H30N2O5/c1-30-25(29)20-7-5-19(6-8-20)18-26-11-9-22(10-12-26)32-23-4-2-3-21(17-23)24(28)27-13-15-31-16-14-27/h2-8,17,22H,9-16,18H2,1H3
InChIKeyOGJJYKIEJTUVSQ-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.99
Rot. Bonds6

About methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate

methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate (PubChem CID 24791164) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
PubChem CID24791164
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Namemethyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C25H30N2O5/c1-30-25(29)20-7-5-19(6-8-20)18-26-11-9-22(10-12-26)32-23-4-2-3-21(17-23)24(28)27-13-15-31-16-14-27/h2-8,17,22H,9-16,18H2,1H3
InChIKeyOGJJYKIEJTUVSQ-UHFFFAOYSA-N
XLogP2.99
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

[3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24792029
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
morpholin-4-yl-[3-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42466032
morpholin-4-yl-[3-[1-(thiophen-2-ylmethyl)azetidin-3-yl]oxyphenyl]methanone
CID 91919055
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 1360916
methyl 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate
CID 55760139
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
4-[[(3R,5S)-3,5-dimethyl-4-[3-(morpholine-4-carbonyl)benzoyl]piperazin-1-yl]methyl]-N-hydroxybenzamide
CID 166937642
[4-[3-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 26340438
[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122158541

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate (CID 24791164) is methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC(Oc3cccc(C(=O)N4CCOCC4)c3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate?
The InChIKey is OGJJYKIEJTUVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-30-25(29)20-7-5-19(6-8-20)18-26-11-9-22(10-12-26)32-23-4-2-3-21(17-23)24(28)27-13-15-31-16-14-27/h2-8,17,22H,9-16,18H2,1H3.
What are the key properties of methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate?
methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate has a molecular weight of 438.52 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[3-(morpholine-4-carbonyl)phenoxy]piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 24791164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).