[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

C26H34N2O3 — CID 86971294

IUPAC[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCC1CN(Cc2ccc(C(=O)N3CCCC(COc4ccccc4)C3)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O3/c1-20-15-27(16-21(2)31-20)17-22-10-12-24(13-11-22)26(29)28-14-6-7-23(18-28)19-30-25-8-4-3-5-9-25/h3-5,8-13,20-21,23H,6-7,14-19H2,1-2H3
InChIKeyNUXUAAGDSVIZTM-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.23
Rot. Bonds6

About [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone

[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (PubChem CID 86971294) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
PubChem CID86971294
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
SMILESCC1CN(Cc2ccc(C(=O)N3CCCC(COc4ccccc4)C3)cc2)CC(C)O1
InChIInChI=1S/C26H34N2O3/c1-20-15-27(16-21(2)31-20)17-22-10-12-24(13-11-22)26(29)28-14-6-7-23(18-28)19-30-25-8-4-3-5-9-25/h3-5,8-13,20-21,23H,6-7,14-19H2,1-2H3
InChIKeyNUXUAAGDSVIZTM-UHFFFAOYSA-N
XLogP4.23
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
N-[[(3R)-1-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 100842649
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540253
furan-2-yl-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110410357
[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158524
[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158523
(3-fluorophenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 110638403
pyridin-3-yl-[3-[[4-(thiomorpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 45207854
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
3-phenyl-1-[(3S)-3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]propan-1-one
CID 95097651
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone (CID 86971294) is [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is CC1CN(Cc2ccc(C(=O)N3CCCC(COc4ccccc4)C3)cc2)CC(C)O1.
What is the InChIKey of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
The InChIKey is NUXUAAGDSVIZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-20-15-27(16-21(2)31-20)17-22-10-12-24(13-11-22)26(29)28-14-6-7-23(18-28)19-30-25-8-4-3-5-9-25/h3-5,8-13,20-21,23H,6-7,14-19H2,1-2H3.
What are the key properties of [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone?
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone has a molecular weight of 422.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 86971294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).