[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone

C26H34N2O3 — CID 132766618

IUPAC[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(N4CC(C)OC(C)C4)CC3)c2C)cc1
InChIInChI=1S/C26H34N2O3/c1-18-16-28(17-19(2)31-18)22-12-14-27(15-13-22)26(29)25-7-5-6-24(20(25)3)21-8-10-23(30-4)11-9-21/h5-11,18-19,22H,12-17H2,1-4H3
InChIKeyMIAQGBZHEZKCGG-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.38
Rot. Bonds4

About [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone

[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone (PubChem CID 132766618) has the molecular formula C26H34N2O3 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone
PubChem CID132766618
Molecular FormulaC26H34N2O3
Molecular Weight422.57 g/mol
Exact Mass422.26
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCC(N4CC(C)OC(C)C4)CC3)c2C)cc1
InChIInChI=1S/C26H34N2O3/c1-18-16-28(17-19(2)31-18)22-12-14-27(15-13-22)26(29)25-7-5-6-24(20(25)3)21-8-10-23(30-4)11-9-21/h5-11,18-19,22H,12-17H2,1-4H3
InChIKeyMIAQGBZHEZKCGG-UHFFFAOYSA-N
XLogP4.38
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 2912264
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 70780005
[3-(4-methoxyphenyl)-2-methylphenyl]-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 132766947
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
(2,6-dimethylmorpholin-4-yl)-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 78774228
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine;oxalic acid
CID 17369761
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70732293
[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95142907
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrol-3-yl]methanone
CID 7306681
(2,6-dimethylmorpholin-4-yl)-(2-methyl-3-nitrophenyl)methanone
CID 5198089
(2-bromophenyl)-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3942200

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone (CID 132766618) is [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone is COc1ccc(-c2cccc(C(=O)N3CCC(N4CC(C)OC(C)C4)CC3)c2C)cc1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone?
The InChIKey is MIAQGBZHEZKCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O3/c1-18-16-28(17-19(2)31-18)22-12-14-27(15-13-22)26(29)25-7-5-6-24(20(25)3)21-8-10-23(30-4)11-9-21/h5-11,18-19,22H,12-17H2,1-4H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone?
[4-(2,6-dimethylmorpholin-4-yl)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone has a molecular weight of 422.57 g/mol, XLogP of 4.38, 4 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)piperidin-1-yl]-[3-(4-methoxyphenyl)-2-methylphenyl]methanone is sourced from PubChem (CID 132766618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).