3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one

C18H31N3O4 — CID 110611726

IUPAC3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C18H31N3O4/c22-17(4-5-19-10-13-24-14-11-19)20-6-8-21(9-7-20)18(23)15-16-3-1-2-12-25-16/h16H,1-15H2
InChIKeyRKBVUOIUXOYMIY-UHFFFAOYSA-N
MW353.46 g/mol
LogP0.34
Rot. Bonds5

About 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one

3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110611726) has the molecular formula C18H31N3O4 and a molecular weight of 353.46 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110611726
Molecular FormulaC18H31N3O4
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)CC2CCCCO2)CC1
InChIInChI=1S/C18H31N3O4/c22-17(4-5-19-10-13-24-14-11-19)20-6-8-21(9-7-20)18(23)15-16-3-1-2-12-25-16/h16H,1-15H2
InChIKeyRKBVUOIUXOYMIY-UHFFFAOYSA-N
XLogP0.34
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110629424
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
1-[4-[2-(3-chlorophenyl)ethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608462
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95340624
1-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110611235
3-(oxan-2-yl)-1-piperazin-1-ylpropan-1-one
CID 63953500
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110414536
1-[4-[2-(oxolan-2-yl)acetyl]-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 71975296
4-[2-(oxolan-2-yl)ethyl]morpholine
CID 130172160
1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110610747

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one (CID 110611726) is 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one is O=C(CCN1CCOCC1)N1CCN(C(=O)CC2CCCCO2)CC1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is RKBVUOIUXOYMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O4/c22-17(4-5-19-10-13-24-14-11-19)20-6-8-21(9-7-20)18(23)15-16-3-1-2-12-25-16/h16H,1-15H2.
What are the key properties of 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one?
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 353.46 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110611726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).