ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

C37H74N8O4 — CID 177321829

IUPACethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CCN1CCN(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)CC1.COCCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N5O.C16H31N3O3.C2H6/c1-3-21-8-10-23(11-9-21)17-19(25)24-14-12-22(13-15-24)16-18-4-6-20(2)7-5-18;1-17-5-3-15(4-6-17)13-18-7-9-19(10-8-18)16(20)14-22-12-11-21-2;1-2/h18H,3-17H2,1-2H3;15H,3-14H2,1-2H3;1-2H3
InChIKeyVBTHIMQPDMMZIP-UHFFFAOYSA-N
MW695.05 g/mol
LogP1.27
Rot. Bonds12

About ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone

ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 177321829) has the molecular formula C37H74N8O4 and a molecular weight of 695.05 g/mol. Its IUPAC name is ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID177321829
Molecular FormulaC37H74N8O4
Molecular Weight695.05 g/mol
Exact Mass694.58
IUPAC Nameethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCC.CCN1CCN(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)CC1.COCCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1
InChIInChI=1S/C19H37N5O.C16H31N3O3.C2H6/c1-3-21-8-10-23(11-9-21)17-19(25)24-14-12-22(13-15-24)16-18-4-6-20(2)7-5-18;1-17-5-3-15(4-6-17)13-18-7-9-19(10-8-18)16(20)14-22-12-11-21-2;1-2/h18H,3-17H2,1-2H3;15H,3-14H2,1-2H3;1-2H3
InChIKeyVBTHIMQPDMMZIP-UHFFFAOYSA-N
XLogP1.27
TPSA78.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500695.05
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 177321829) is ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is CC.CCN1CCN(CC(=O)N2CCN(CC3CCN(C)CC3)CC2)CC1.COCCOCC(=O)N1CCN(CC2CCN(C)CC2)CC1.
What is the InChIKey of ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is VBTHIMQPDMMZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N5O.C16H31N3O3.C2H6/c1-3-21-8-10-23(11-9-21)17-19(25)24-14-12-22(13-15-24)16-18-4-6-20(2)7-5-18;1-17-5-3-15(4-6-17)13-18-7-9-19(10-8-18)16(20)14-22-12-11-21-2;1-2/h18H,3-17H2,1-2H3;15H,3-14H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone?
ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 695.05 g/mol, XLogP of 1.27, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-ethylpiperazin-1-yl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone;2-(2-methoxyethoxy)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177321829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).