1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone

C16H21N3O3 — CID 4558528

IUPAC1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c20-15(12-17-8-10-22-11-9-17)18-6-7-19(13-18)16(21)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyWJJJIZBOOYQBDX-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.26
Rot. Bonds3

About 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone

1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone (PubChem CID 4558528) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
PubChem CID4558528
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C16H21N3O3/c20-15(12-17-8-10-22-11-9-17)18-6-7-19(13-18)16(21)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyWJJJIZBOOYQBDX-UHFFFAOYSA-N
XLogP0.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775
1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 55496052
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
N-benzyl-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 24664690
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
N-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 46492519
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
1-[4-(4-butoxybenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496513
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
1-[4-[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 43038526
1-morpholin-4-yl-2-[4-(3-pyrrol-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 17402282
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone?
The IUPAC name of 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone (CID 4558528) is 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone?
The canonical SMILES for 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone?
The InChIKey is WJJJIZBOOYQBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(12-17-8-10-22-11-9-17)18-6-7-19(13-18)16(21)14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone?
1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone has a molecular weight of 303.36 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylimidazolidin-1-yl)-2-morpholin-4-ylethanone is sourced from PubChem (CID 4558528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).