1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone

C34H73N11O4 — CID 157087223

IUPAC1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H12N2O.C6H14N2.C5H10N2O.C5H12N2.C5H11NO/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3;2-5H2,1H3
InChIKeyAEFQVGHVPIMAFY-UHFFFAOYSA-N
MW700.03 g/mol
LogP-2.45
Rot. Bonds

About 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone

1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 157087223) has the molecular formula C34H73N11O4 and a molecular weight of 700.03 g/mol. Its IUPAC name is 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone
PubChem CID157087223
Molecular FormulaC34H73N11O4
Molecular Weight700.03 g/mol
Exact Mass699.58
IUPAC Name1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(C)CC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCOCC1
InChIInChI=1S/C7H14N2O.C6H12N2O.C6H14N2.C5H10N2O.C5H12N2.C5H11NO/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3;2-5H2,1H3
InChIKeyAEFQVGHVPIMAFY-UHFFFAOYSA-N
XLogP-2.45
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.03
LogP ≤ 5-2.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone 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

N-(2-morpholin-4-ylethyl)-2-[4,7,10-tris[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 12997587
1-Morpholin-4-yl-2-[4-(2-morpholin-4-yl-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
CID 2394973
N-(2-methoxyethyl)-2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]acetamide
CID 2394975
4-Ethylmorpholine;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
CID 159185172
N,N-dimethylpropan-2-amine;2-(4-methylpiperazin-1-yl)-N-propan-2-ylacetamide;N-methylpropan-2-amine;1-methyl-4-propan-2-ylpiperazine;2-morpholin-4-yl-N-propan-2-ylacetamide;2-piperazin-1-yl-N-propan-2-ylacetamide;2-piperidin-1-yl-N-propan-2-ylacetamide;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine;trimethyl(propan-2-yl)azanium
CID 159537635
N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;O-[2-[2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)ethylamino]ethyl]hydroxylamine;O-[2-[2-(4-methylpiperazin-1-yl)(1,2-13C2)ethylamino]ethyl]hydroxylamine;oxidane;hydrate
CID 161173818
N-[2-(dimethylamino)ethyl]propanamide;N,N-dimethylmethanamine;2-methoxy-N,N-dimethylethanamine;1-(2-methoxyethyl)-4-methylpiperazine;1-(2-methoxyethyl)piperidine;4-methylmorpholine;1-(4-methylpiperazin-1-yl)propan-1-one;1-methylpiperidine;N,N',N'-trimethylethane-1,2-diamine
CID 161252831
N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide;N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 161367702
N-(2-aminooxyethyl)-2-(4-methyl-(115N)1,4-diazinan-1-yl)acetamide;bis(N-(2-aminooxyethyl)-2-(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)acetamide);N-(2-aminooxyethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 161367703
4-Ethylmorpholine;methane;4-methylmorpholine;morpholine;1-morpholin-4-ylethanone;1-morpholin-4-ylpropan-1-one;4-propylmorpholine
CID 161557793
Tert-butyl 4-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-oxopiperazine-1-carboxylate;1-(2-morpholin-4-ylethyl)piperazin-2-one
CID 161590560
Tert-butyl 4-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-(2-morpholin-4-ylethyl)piperazin-2-one
CID 161948695

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone (CID 157087223) is 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone is CC(=O)N1CCN(C)CC1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCOCC1.
What is the InChIKey of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is AEFQVGHVPIMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C6H12N2O.C6H14N2.C5H10N2O.C5H12N2.C5H11NO/c1-7(10)9-5-3-8(2)4-6-9;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6/h3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3;2-5H2,1H3.
What are the key properties of 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone?
1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 700.03 g/mol, XLogP of -2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;4-methylmorpholine;1-methylpiperazine;4-methylpiperazin-2-one;1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 157087223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).