2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one

C20H29N3O3 — CID 55496523

IUPAC2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-20(2,17-6-4-3-5-7-17)19(25)23-10-8-22(9-11-23)18(24)16-21-12-14-26-15-13-21/h3-7H,8-16H2,1-2H3
InChIKeyWUQVYWHWKASFLS-UHFFFAOYSA-N
MW359.47 g/mol
LogP0.97
Rot. Bonds4

About 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one

2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one (PubChem CID 55496523) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
PubChem CID55496523
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1
InChIInChI=1S/C20H29N3O3/c1-20(2,17-6-4-3-5-7-17)19(25)23-10-8-22(9-11-23)18(24)16-21-12-14-26-15-13-21/h3-7H,8-16H2,1-2H3
InChIKeyWUQVYWHWKASFLS-UHFFFAOYSA-N
XLogP0.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
2-amino-2-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 120596462
2-amino-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 120594918
1-[4-[2-(3-bromo-2-methylindol-1-yl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52660719
1-[4-(4-hydroxybutyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 110931592
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
CID 4558528
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
1-[4-[2-(2-methoxyethoxy)acetyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 56805511
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one?
The IUPAC name of 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one (CID 55496523) is 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1.
What is the InChIKey of 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one?
The InChIKey is WUQVYWHWKASFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-20(2,17-6-4-3-5-7-17)19(25)23-10-8-22(9-11-23)18(24)16-21-12-14-26-15-13-21/h3-7H,8-16H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one?
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one has a molecular weight of 359.47 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one is sourced from PubChem (CID 55496523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).