ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

C14H31N5O — CID 156836891

IUPACethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CNN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N5O.C2H6/c1-13-17-9-5-15(6-10-17)11-12(18)16-7-3-14(2)4-8-16;1-2/h13H,3-11H2,1-2H3;1-2H3
InChIKeyFVDLFXUPRZLKNA-UHFFFAOYSA-N
MW285.44 g/mol
LogP-0.46
Rot. Bonds3

About ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone

ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 156836891) has the molecular formula C14H31N5O and a molecular weight of 285.44 g/mol. Its IUPAC name is ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID156836891
Molecular FormulaC14H31N5O
Molecular Weight285.44 g/mol
Exact Mass285.25
IUPAC Nameethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CNN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N5O.C2H6/c1-13-17-9-5-15(6-10-17)11-12(18)16-7-3-14(2)4-8-16;1-2/h13H,3-11H2,1-2H3;1-2H3
InChIKeyFVDLFXUPRZLKNA-UHFFFAOYSA-N
XLogP-0.46
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
2-[4-(carboxymethyl)-7-(methylamino)-1,4,7-triazonan-1-yl]acetic acid
CID 149028587
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 171833651
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
2-[3-(methylamino)piperidin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 62545473
2-[4-[(4-methylpiperazin-1-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 83019678
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
CID 170861389
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
1-(4-methylpiperazin-1-yl)-2-[4-(propylamino)piperidin-1-yl]ethanone
CID 60818597

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone (CID 156836891) is ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is CC.CNN1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is FVDLFXUPRZLKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O.C2H6/c1-13-17-9-5-15(6-10-17)11-12(18)16-7-3-14(2)4-8-16;1-2/h13H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone?
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 285.44 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 156836891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).