1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one

C100H194N16O20 — CID 167681148

IUPAC1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESC.C.C.C.C.C.C.C.C.C.CC(=O)CC(=O)N1CCN(C(=O)CC(C)=O)CC1.CC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC#CCC.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCN1CCN(C(=O)CC(C)=O)CC1
InChIInChI=1S/C12H18N2O4.3C11H18N2O3.3C10H18N2O2.C9H18N2O.C6H10.10CH4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16;1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;2*1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-6-4-2;;;;;;;;;;/h3-8H2,1-2H3;3*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;3-4H2,1-2H3;10*1H4
InChIKeyVOHFIRHTVQKLGO-UHFFFAOYSA-N
MW1940.74 g/mol
LogP8.87
Rot. Bonds24

About 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one

1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one (PubChem CID 167681148) has the molecular formula C100H194N16O20 and a molecular weight of 1940.74 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
PubChem CID167681148
Molecular FormulaC100H194N16O20
Molecular Weight1940.74 g/mol
Exact Mass1939.47
IUPAC Name1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
SMILESC.C.C.C.C.C.C.C.C.C.CC(=O)CC(=O)N1CCN(C(=O)CC(C)=O)CC1.CC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC#CCC.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCN1CCN(C(=O)CC(C)=O)CC1
InChIInChI=1S/C12H18N2O4.3C11H18N2O3.3C10H18N2O2.C9H18N2O.C6H10.10CH4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16;1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;2*1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-6-4-2;;;;;;;;;;/h3-8H2,1-2H3;3*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;3-4H2,1-2H3;10*1H4
InChIKeyVOHFIRHTVQKLGO-UHFFFAOYSA-N
XLogP8.87
TPSA393.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.74
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one 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

Methane;nonakis(1-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]pentane-1,4-dione)
CID 158947743
N-butyl-N-methylbutan-1-amine;1,4-diethylpiperazine;ethoxyethane;N-ethyl-N-methylethanamine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;pentane;1-(4-propanoylpiperazin-1-yl)butane-1,3-dione;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 165051317
1,4-Diethylpiperazine;1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 165067948
Hex-3-yne;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 167604195

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one (CID 167681148) is 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one is C.C.C.C.C.C.C.C.C.C.CC(=O)CC(=O)N1CCN(C(=O)CC(C)=O)CC1.CC(=O)CC(=O)N1CCN(CC(C)=O)CC1.CCC#CCC.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC(C)=O)CC1.CCC(=O)N1CCN(C(=O)CC)CC1.CCC(=O)N1CCN(CC(C)=O)CC1.CCC(=O)N1CCN(CC)CC1.CCN1CCN(C(=O)CC(C)=O)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one?
The InChIKey is VOHFIRHTVQKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4.3C11H18N2O3.3C10H18N2O2.C9H18N2O.C6H10.10CH4/c1-9(15)7-11(17)13-3-5-14(6-4-13)12(18)8-10(2)16;1-9(14)7-11(16)13-5-3-12(4-6-13)8-10(2)15;2*1-3-10(15)12-4-6-13(7-5-12)11(16)8-9(2)14;1-3-11-4-6-12(7-5-11)10(14)8-9(2)13;1-3-10(14)12-6-4-11(5-7-12)8-9(2)13;1-3-9(13)11-5-7-12(8-6-11)10(14)4-2;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-6-4-2;;;;;;;;;;/h3-8H2,1-2H3;3*3-8H2,1-2H3;3*3-8H2,1-2H3;3-8H2,1-2H3;3-4H2,1-2H3;10*1H4.
What are the key properties of 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one?
1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one has a molecular weight of 1940.74 g/mol, XLogP of 8.87, 24 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)butane-1,3-dione;1-(4-ethylpiperazin-1-yl)propan-1-one;hex-3-yne;methane;1-[4-(3-oxobutanoyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]butane-1,3-dione;1-[4-(2-oxopropyl)piperazin-1-yl]propan-1-one;bis(1-(4-propanoylpiperazin-1-yl)butane-1,3-dione);1-(4-propanoylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 167681148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).