3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one

C15H28N4O3 — CID 175463060

IUPAC3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CC(N1CCOCC1)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C15H28N4O3/c20-15(19-3-1-16-2-4-19)13-14(17-5-9-21-10-6-17)18-7-11-22-12-8-18/h14,16H,1-13H2
InChIKeyHACVLFXVQJTBGN-UHFFFAOYSA-N
MW312.41 g/mol
LogP-1.20
Rot. Bonds4

About 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one

3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one (PubChem CID 175463060) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one
PubChem CID175463060
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC Name3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one
SMILESO=C(CC(N1CCOCC1)N1CCOCC1)N1CCNCC1
InChIInChI=1S/C15H28N4O3/c20-15(19-3-1-16-2-4-19)13-14(17-5-9-21-10-6-17)18-7-11-22-12-8-18/h14,16H,1-13H2
InChIKeyHACVLFXVQJTBGN-UHFFFAOYSA-N
XLogP-1.20
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
1-morpholin-4-yl-3-piperazin-1-ylpropan-1-one;dihydrochloride
CID 53415361
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
4,4,4-trifluoro-1-piperazin-1-yl-3-(trifluoromethyl)butan-1-one
CID 84714810
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892

Frequently Asked Questions

What is the IUPAC name of 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one (CID 175463060) is 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one is O=C(CC(N1CCOCC1)N1CCOCC1)N1CCNCC1.
What is the InChIKey of 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one?
The InChIKey is HACVLFXVQJTBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c20-15(19-3-1-16-2-4-19)13-14(17-5-9-21-10-6-17)18-7-11-22-12-8-18/h14,16H,1-13H2.
What are the key properties of 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one?
3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one has a molecular weight of 312.41 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimorpholin-4-yl-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 175463060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).