1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane

C20H42N4O2 — CID 161188092

IUPAC1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane
SMILESC.CCC(=O)N1CCN(CC)CC1.CCC(=O)N1CCN(CC)CC1C
InChIInChI=1S/C10H20N2O.C9H18N2O.CH4/c1-4-10(13)12-7-6-11(5-2)8-9(12)3;1-3-9(12)11-7-5-10(4-2)6-8-11;/h9H,4-8H2,1-3H3;3-8H2,1-2H3;1H4
InChIKeyUTIXJNAMIPDWHC-UHFFFAOYSA-N
MW370.58 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane

1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane (PubChem CID 161188092) has the molecular formula C20H42N4O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane.

Molecular Properties

Compound Name1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane
PubChem CID161188092
Molecular FormulaC20H42N4O2
Molecular Weight370.58 g/mol
Exact Mass370.33
IUPAC Name1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane
SMILESC.CCC(=O)N1CCN(CC)CC1.CCC(=O)N1CCN(CC)CC1C
InChIInChI=1S/C10H20N2O.C9H18N2O.CH4/c1-4-10(13)12-7-6-11(5-2)8-9(12)3;1-3-9(12)11-7-5-10(4-2)6-8-11;/h9H,4-8H2,1-3H3;3-8H2,1-2H3;1H4
InChIKeyUTIXJNAMIPDWHC-UHFFFAOYSA-N
XLogP2.15
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane 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-chloro-1-(4-ethyl-2-methyl-1,4-diazepan-1-yl)ethanone
CID 130698596
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
1-(4-ethylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942692
1-[4,7-di(propanoyl)-1,4,7-triazonan-1-yl]propan-1-one;ethane;propane
CID 177209805
1-[(2S)-4-ethyl-2-methylpiperazin-1-yl]-4-(4-phenylpiperazin-1-yl)butan-1-one
CID 124881894
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
ethane;1-(4-propylpiperazin-1-yl)propan-1-one
CID 171788369
butan-2-one;1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 158896356
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
(2R)-4-ethyl-1-hydroxy-2-methylpiperazine
CID 89081113
1-(4-ethylpiperazin-1-yl)-2-(methylamino)ethanone
CID 24706244
(3S,4S)-1-(4-ethylpiperazine-1-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085861

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane?
The IUPAC name of 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane (CID 161188092) is 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane.
What is the SMILES notation for 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane?
The canonical SMILES for 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane is C.CCC(=O)N1CCN(CC)CC1.CCC(=O)N1CCN(CC)CC1C.
What is the InChIKey of 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane?
The InChIKey is UTIXJNAMIPDWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H18N2O.CH4/c1-4-10(13)12-7-6-11(5-2)8-9(12)3;1-3-9(12)11-7-5-10(4-2)6-8-11;/h9H,4-8H2,1-3H3;3-8H2,1-2H3;1H4.
What are the key properties of 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane?
1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane has a molecular weight of 370.58 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-methylpiperazin-1-yl)propan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;methane is sourced from PubChem (CID 161188092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).