2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione

C14H25N3O3 — CID 173096762

IUPAC2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
SMILESCC(C(=O)N1CCNCC1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-11(13(18)16-5-3-15-4-6-16)12(2)14(19)17-7-9-20-10-8-17/h11-12,15H,3-10H2,1-2H3
InChIKeyGMOGSUPJDHVYNR-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.45
Rot. Bonds3

About 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione

2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione (PubChem CID 173096762) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione.

Molecular Properties

Compound Name2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
PubChem CID173096762
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
SMILESCC(C(=O)N1CCNCC1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C14H25N3O3/c1-11(13(18)16-5-3-15-4-6-16)12(2)14(19)17-7-9-20-10-8-17/h11-12,15H,3-10H2,1-2H3
InChIKeyGMOGSUPJDHVYNR-UHFFFAOYSA-N
XLogP-0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
1-morpholin-4-yl-2-piperazin-1-ylethane-1,2-dione
CID 7131953
2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 83709619
1-morpholin-4-yl-2-(3-piperazin-1-ylazetidin-1-yl)propan-1-one
CID 66197711
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-ethylbutanoic acid;2-ethyl-1-morpholin-4-ylbutan-1-one;morpholine
CID 160748573
(2S)-2,3,3-trimethyl-1-piperazin-1-ylbutan-1-one
CID 59979591
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione?
The IUPAC name of 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione (CID 173096762) is 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione.
What is the SMILES notation for 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione?
The canonical SMILES for 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione is CC(C(=O)N1CCNCC1)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione?
The InChIKey is GMOGSUPJDHVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11(13(18)16-5-3-15-4-6-16)12(2)14(19)17-7-9-20-10-8-17/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione?
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione has a molecular weight of 283.37 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione is sourced from PubChem (CID 173096762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).