2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one

C12H23N3O2 — CID 24697719

IUPAC2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCNCC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(2)12(16)14-5-3-13-4-6-14/h10-11,13H,3-9H2,1-2H3
InChIKeyBJWAZOYZOXZMPU-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.47
Rot. Bonds2

About 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one

2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 24697719) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID24697719
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(C(C)C(=O)N2CCNCC2)CCO1
InChIInChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(2)12(16)14-5-3-13-4-6-14/h10-11,13H,3-9H2,1-2H3
InChIKeyBJWAZOYZOXZMPU-UHFFFAOYSA-N
XLogP-0.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-(2-methylmorpholin-4-yl)propan-1-one
CID 134055253
1-(3,5-dimethylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130716
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
2-[3-(diethylamino)pyrrolidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 63169579
1-(2-methyl-1,4-oxazepan-4-yl)-2-piperazin-1-ylethane-1,2-dione
CID 55141735
2-methyl-4-propan-2-ylmorpholine
CID 176666634
3-(1-oxo-1-piperazin-1-ylpropan-2-yl)-1,3-oxazolidin-2-one
CID 82509950
2-(4-tert-butylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62089527
4-(2-methylmorpholin-4-yl)pentan-2-one
CID 64697902
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265
1,2-bis(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 78786496

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one (CID 24697719) is 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one is CC1CN(C(C)C(=O)N2CCNCC2)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is BJWAZOYZOXZMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-10-9-15(7-8-17-10)11(2)12(16)14-5-3-13-4-6-14/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one?
2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 241.33 g/mol, XLogP of -0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 24697719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).