3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

C19H35N3O3 — CID 166881497

IUPAC3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)CC2CN(C(=O)C(C)(C)C)CCO2)CC1
InChIInChI=1S/C19H35N3O3/c1-18(2,3)16(23)22-11-12-25-15(14-22)13-19(4,5)17(24)21-9-7-20(6)8-10-21/h15H,7-14H2,1-6H3
InChIKeyHAYVKAJACLTISB-UHFFFAOYSA-N
MW353.51 g/mol
LogP1.45
Rot. Bonds3

About 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one

3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 166881497) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID166881497
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(C)(C)CC2CN(C(=O)C(C)(C)C)CCO2)CC1
InChIInChI=1S/C19H35N3O3/c1-18(2,3)16(23)22-11-12-25-15(14-22)13-19(4,5)17(24)21-9-7-20(6)8-10-21/h15H,7-14H2,1-6H3
InChIKeyHAYVKAJACLTISB-UHFFFAOYSA-N
XLogP1.45
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
3-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one
CID 129276778
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
2-amino-3,3,3-trifluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 81202845

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one (CID 166881497) is 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(C)(C)CC2CN(C(=O)C(C)(C)C)CCO2)CC1.
What is the InChIKey of 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is HAYVKAJACLTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-18(2,3)16(23)22-11-12-25-15(14-22)13-19(4,5)17(24)21-9-7-20(6)8-10-21/h15H,7-14H2,1-6H3.
What are the key properties of 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one?
3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 353.51 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 166881497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).