(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone

C22H34N2O3 — CID 55916474

IUPAC(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCC(C)Oc1ccccc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C22H34N2O3/c1-16(2)26-21-8-6-5-7-20(21)15-23-11-9-19(10-12-23)22(25)24-13-17(3)27-18(4)14-24/h5-8,16-19H,9-15H2,1-4H3
InChIKeyWVHWSQCQJGHLLI-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.32
Rot. Bonds5

About (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone

(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone (PubChem CID 55916474) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
PubChem CID55916474
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone
SMILESCC(C)Oc1ccccc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C22H34N2O3/c1-16(2)26-21-8-6-5-7-20(21)15-23-11-9-19(10-12-23)22(25)24-13-17(3)27-18(4)14-24/h5-8,16-19H,9-15H2,1-4H3
InChIKeyWVHWSQCQJGHLLI-UHFFFAOYSA-N
XLogP3.32
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
(2R)-2-hydroxy-2-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]acetamide
CID 129489722
1-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]ethanol
CID 111113750
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
(3S,4S)-4-methyl-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 122120797
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
1-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 51942632
(2,6-dimethylmorpholin-4-yl)-[1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidin-4-yl]methanone
CID 75515946
(2S,6S)-4-[(2-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 6937591
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92584451
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone (CID 55916474) is (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone is CC(C)Oc1ccccc1CN1CCC(C(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is WVHWSQCQJGHLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)26-21-8-6-5-7-20(21)15-23-11-9-19(10-12-23)22(25)24-13-17(3)27-18(4)14-24/h5-8,16-19H,9-15H2,1-4H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 374.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55916474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).