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

C17H30N4O4 — CID 71318447

IUPAC3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H30N4O4/c22-16(1-2-18-7-11-24-12-8-18)20-3-5-21(6-4-20)17(23)15-19-9-13-25-14-10-19/h1-15H2
InChIKeyCQNJMHMAGDTMFH-UHFFFAOYSA-N
MW354.45 g/mol
LogP-1.29
Rot. Bonds5

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

3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 71318447) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID71318447
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Name3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C17H30N4O4/c22-16(1-2-18-7-11-24-12-8-18)20-3-5-21(6-4-20)17(23)15-19-9-13-25-14-10-19/h1-15H2
InChIKeyCQNJMHMAGDTMFH-UHFFFAOYSA-N
XLogP-1.29
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840080
3-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 43396296
3-piperidin-1-yl-1-[4-(2-piperidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 3021273
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
4-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 120564429
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110422617
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472
4-cyclohexyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 86915832
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
2-morpholin-4-yl-1-[4-(4-propan-2-yloxybutyl)piperazin-1-yl]ethanone
CID 176777461
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
1-[2-(1,4-oxazepan-4-yl)acetyl]piperidin-4-one
CID 55153337

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (CID 71318447) is 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is O=C(CCN1CCOCC1)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is CQNJMHMAGDTMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c22-16(1-2-18-7-11-24-12-8-18)20-3-5-21(6-4-20)17(23)15-19-9-13-25-14-10-19/h1-15H2.
What are the key properties of 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 354.45 g/mol, XLogP of -1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71318447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).