methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one

C17H37N3O3 — CID 157443912

IUPACmethane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one
SMILESC.C.CCC(=O)N1CCN(C)CC1.CCC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O.C7H13NO2.2CH4/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-7(9)8-3-5-10-6-4-8;;/h3-7H2,1-2H3;2-6H2,1H3;2*1H4
InChIKeyBRZPFBUCEUHTIC-UHFFFAOYSA-N
MW331.50 g/mol
LogP1.70
Rot. Bonds2

About methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one

methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one (PubChem CID 157443912) has the molecular formula C17H37N3O3 and a molecular weight of 331.50 g/mol. Its IUPAC name is methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Namemethane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one
PubChem CID157443912
Molecular FormulaC17H37N3O3
Molecular Weight331.50 g/mol
Exact Mass331.28
IUPAC Namemethane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one
SMILESC.C.CCC(=O)N1CCN(C)CC1.CCC(=O)N1CCOCC1
InChIInChI=1S/C8H16N2O.C7H13NO2.2CH4/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-7(9)8-3-5-10-6-4-8;;/h3-7H2,1-2H3;2-6H2,1H3;2*1H4
InChIKeyBRZPFBUCEUHTIC-UHFFFAOYSA-N
XLogP1.70
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one?
The IUPAC name of methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one (CID 157443912) is methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one?
The canonical SMILES for methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one is C.C.CCC(=O)N1CCN(C)CC1.CCC(=O)N1CCOCC1.
What is the InChIKey of methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one?
The InChIKey is BRZPFBUCEUHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C7H13NO2.2CH4/c1-3-8(11)10-6-4-9(2)5-7-10;1-2-7(9)8-3-5-10-6-4-8;;/h3-7H2,1-2H3;2-6H2,1H3;2*1H4.
What are the key properties of methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one?
methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one has a molecular weight of 331.50 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(4-methylpiperazin-1-yl)propan-1-one;1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 157443912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).