2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one

C21H32N2O2 — CID 136579803

IUPAC2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)20(24)23-12-9-18(10-13-23)8-11-22-14-16-25-17-15-22/h3-7,18H,8-17H2,1-2H3
InChIKeyXCURCETUUOHXFJ-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.93
Rot. Bonds5

About 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 136579803) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID136579803
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)20(24)23-12-9-18(10-13-23)8-11-22-14-16-25-17-15-22/h3-7,18H,8-17H2,1-2H3
InChIKeyXCURCETUUOHXFJ-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
(4-tert-butylphenyl)-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 39834967
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-phenoxypropan-1-one
CID 49095993
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110304853
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
2-bromo-2-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328262
1-[3-[(4-hydroxyphenyl)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 166612520
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 119517891
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
1-(3-ethyl-4-hydroxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-one
CID 114509918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one (CID 136579803) is 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one is CC(C)(C(=O)N1CCC(CCN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is XCURCETUUOHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,19-6-4-3-5-7-19)20(24)23-12-9-18(10-13-23)8-11-22-14-16-25-17-15-22/h3-7,18H,8-17H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 344.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 136579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).