2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

C26H32N2O4 — CID 53150427

IUPAC2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-20-2-4-21(5-3-20)18-25(29)27-12-10-22(11-13-27)19-32-24-8-6-23(7-9-24)26(30)28-14-16-31-17-15-28/h2-9,22H,10-19H2,1H3
InChIKeyMZFBHHTUHWMGJZ-UHFFFAOYSA-N
MW436.55 g/mol
LogP3.33
Rot. Bonds6

About 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone

2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (PubChem CID 53150427) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
PubChem CID53150427
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(CC(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C26H32N2O4/c1-20-2-4-21(5-3-20)18-25(29)27-12-10-22(11-13-27)19-32-24-8-6-23(7-9-24)26(30)28-14-16-31-17-15-28/h2-9,22H,10-19H2,1H3
InChIKeyMZFBHHTUHWMGJZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

3-methyl-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150429
morpholin-4-yl-[4-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methoxy]phenyl]methanone
CID 53150425
1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]-2-phenoxyethanone
CID 53150450
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
2-(2-methylphenyl)-1-[3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 53150172
[4-[[1-(2,4-difluorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150445
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
1-[(3R)-3-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097768
2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
2-(4-chlorophenyl)-1-[4-[(4-hydroxyphenoxy)methyl]piperidin-1-yl]ethanone
CID 71060557
[4-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645875

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone (CID 53150427) is 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is Cc1ccc(CC(=O)N2CCC(COc3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
The InChIKey is MZFBHHTUHWMGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-20-2-4-21(5-3-20)18-25(29)27-12-10-22(11-13-27)19-32-24-8-6-23(7-9-24)26(30)28-14-16-31-17-15-28/h2-9,22H,10-19H2,1H3.
What are the key properties of 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone?
2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone has a molecular weight of 436.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-[4-[[4-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 53150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).