4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane

C19H35N3O — CID 144530441

IUPAC4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
SMILESCCC.CCc1ccc(C(=O)NCCN2CCN(C)CC2)cc1.[H][H]
InChIInChI=1S/C16H25N3O.C3H8.H2/c1-3-14-4-6-15(7-5-14)16(20)17-8-9-19-12-10-18(2)11-13-19;1-3-2;/h4-7H,3,8-13H2,1-2H3,(H,17,20);3H2,1-2H3;1H
InChIKeyWMVGTTVSJUZWAW-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.89
Rot. Bonds5

About 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane

4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane (PubChem CID 144530441) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane.

Molecular Properties

Compound Name4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
PubChem CID144530441
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane
SMILESCCC.CCc1ccc(C(=O)NCCN2CCN(C)CC2)cc1.[H][H]
InChIInChI=1S/C16H25N3O.C3H8.H2/c1-3-14-4-6-15(7-5-14)16(20)17-8-9-19-12-10-18(2)11-13-19;1-3-2;/h4-7H,3,8-13H2,1-2H3,(H,17,20);3H2,1-2H3;1H
InChIKeyWMVGTTVSJUZWAW-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane 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

4-(2-methylbutan-2-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 144530451
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
4-azido-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 86629801
N-[2-(ethylamino)ethyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide;dihydrochloride
CID 119504910
4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
ethane;4-ethyl-N-propylbenzamide
CID 142831348
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
3-ethyl-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1H-indole-5-carboxamide
CID 156841417
4-[6-(azepan-1-yl)-3-pyridinyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 53149949

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane?
The IUPAC name of 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane (CID 144530441) is 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane.
What is the SMILES notation for 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane?
The canonical SMILES for 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane is CCC.CCc1ccc(C(=O)NCCN2CCN(C)CC2)cc1.[H][H].
What is the InChIKey of 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane?
The InChIKey is WMVGTTVSJUZWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.C3H8.H2/c1-3-14-4-6-15(7-5-14)16(20)17-8-9-19-12-10-18(2)11-13-19;1-3-2;/h4-7H,3,8-13H2,1-2H3,(H,17,20);3H2,1-2H3;1H.
What are the key properties of 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane?
4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane has a molecular weight of 321.51 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide;molecular hydrogen;propane is sourced from PubChem (CID 144530441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).