ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one

C15H31N3O2 — CID 145317159

IUPACethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-2-13(17)16-7-5-14(6-8-16)3-4-15-9-11-18-12-10-15;1-2/h2-12H2,1H3;1-2H3
InChIKeyLHUFGHNNWRANTR-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.90
Rot. Bonds4

About ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one

ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one (PubChem CID 145317159) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
PubChem CID145317159
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nameethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C13H25N3O2.C2H6/c1-2-13(17)16-7-5-14(6-8-16)3-4-15-9-11-18-12-10-15;1-2/h2-12H2,1H3;1-2H3
InChIKeyLHUFGHNNWRANTR-UHFFFAOYSA-N
XLogP0.90
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
1-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 178104609
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242
1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 59468982
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
1-(5-propanoyl-1,4,5-oxadiazepan-4-yl)propan-1-one
CID 12845387
ethane;4-propylmorpholine
CID 143004992
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
2-morpholin-4-yl-1-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanone
CID 55506472

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one (CID 145317159) is ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one is CC.CCC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one?
The InChIKey is LHUFGHNNWRANTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.C2H6/c1-2-13(17)16-7-5-14(6-8-16)3-4-15-9-11-18-12-10-15;1-2/h2-12H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one?
ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one has a molecular weight of 285.43 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 145317159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).