2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one

C38H71N5O7 — CID 157293318

IUPAC2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(=O)CC1.CC(C)(C)C(=O)N1CCOCC1.CC1(O)CN(C(=O)C(C)(C)C)C1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H17NO2.2C9H17NO2/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(13)11-6-4-8(12)5-7-11;1-8(2,3)7(11)10-5-9(4,12)6-10;1-9(2,3)8(11)10-4-6-12-7-5-10/h5-8H2,1-4H3;4-7H2,1-3H3;12H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyBBBCRKUEPKGGEN-UHFFFAOYSA-N
MW710.01 g/mol
LogP3.55
Rot. Bonds

About 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one

2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 157293318) has the molecular formula C38H71N5O7 and a molecular weight of 710.01 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID157293318
Molecular FormulaC38H71N5O7
Molecular Weight710.01 g/mol
Exact Mass709.54
IUPAC Name2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(=O)CC1.CC(C)(C)C(=O)N1CCOCC1.CC1(O)CN(C(=O)C(C)(C)C)C1.CN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C10H20N2O.C10H17NO2.2C9H17NO2/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(13)11-6-4-8(12)5-7-11;1-8(2,3)7(11)10-5-9(4,12)6-10;1-9(2,3)8(11)10-4-6-12-7-5-10/h5-8H2,1-4H3;4-7H2,1-3H3;12H,5-6H2,1-4H3;4-7H2,1-3H3
InChIKeyBBBCRKUEPKGGEN-UHFFFAOYSA-N
XLogP3.55
TPSA131.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500710.01
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

2,2-Dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;bis(1-(2,2-dimethylpropanoyl)piperidin-4-one);1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 158115754
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 158160489
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane;2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158381115
1-(Azetidin-1-yl)-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;methane
CID 160285391

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one (CID 157293318) is 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(=O)CC1.CC(C)(C)C(=O)N1CCOCC1.CC1(O)CN(C(=O)C(C)(C)C)C1.CN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is BBBCRKUEPKGGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C10H17NO2.2C9H17NO2/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-10(2,3)9(13)11-6-4-8(12)5-7-11;1-8(2,3)7(11)10-5-9(4,12)6-10;1-9(2,3)8(11)10-4-6-12-7-5-10/h5-8H2,1-4H3;4-7H2,1-3H3;12H,5-6H2,1-4H3;4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one?
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 710.01 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;1-(2,2-dimethylpropanoyl)piperidin-4-one;1-(3-hydroxy-3-methylazetidin-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 157293318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).