1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one

C22H34N2O2 — CID 119806076

IUPAC1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1ccc(C)c(C2CN(C(=O)CC(C)C3CCCNC3)C(C)CO2)c1
InChIInChI=1S/C22H34N2O2/c1-15-7-8-16(2)20(10-15)21-13-24(18(4)14-26-21)22(25)11-17(3)19-6-5-9-23-12-19/h7-8,10,17-19,21,23H,5-6,9,11-14H2,1-4H3
InChIKeyBRXVWKXGBICOEP-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.62
Rot. Bonds4

About 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one

1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one (PubChem CID 119806076) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
PubChem CID119806076
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one
SMILESCc1ccc(C)c(C2CN(C(=O)CC(C)C3CCCNC3)C(C)CO2)c1
InChIInChI=1S/C22H34N2O2/c1-15-7-8-16(2)20(10-15)21-13-24(18(4)14-26-21)22(25)11-17(3)19-6-5-9-23-12-19/h7-8,10,17-19,21,23H,5-6,9,11-14H2,1-4H3
InChIKeyBRXVWKXGBICOEP-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
(2S)-2-amino-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]propan-1-one;hydrochloride
CID 119336365
2-(4-aminophenyl)-1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]ethanone
CID 119806064
1-(5-methyl-2-phenylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119769865
1-(2,6-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119792024
1-[(2S,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 124685919
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 124778318
3-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-1-piperazin-1-ylpropan-1-one
CID 120981988
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
1-(2-methylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119785155
[(2R,5S)-2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 125141624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The IUPAC name of 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one (CID 119806076) is 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one is Cc1ccc(C)c(C2CN(C(=O)CC(C)C3CCCNC3)C(C)CO2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
The InChIKey is BRXVWKXGBICOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15-7-8-16(2)20(10-15)21-13-24(18(4)14-26-21)22(25)11-17(3)19-6-5-9-23-12-19/h7-8,10,17-19,21,23H,5-6,9,11-14H2,1-4H3.
What are the key properties of 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one?
1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one has a molecular weight of 358.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenyl)-5-methylmorpholin-4-yl]-3-piperidin-3-ylbutan-1-one is sourced from PubChem (CID 119806076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).