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

C15H32N4O — CID 178104636

IUPACethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.C2H6/c1-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14(2)4-6-15;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyRWHCTYNGWSBESQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP0.42
Rot. Bonds3

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

ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 178104636) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID178104636
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Nameethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESCC.CC(=O)N1CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O.C2H6/c1-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14(2)4-6-15;1-2/h3-12H2,1-2H3;1-2H3
InChIKeyRWHCTYNGWSBESQ-UHFFFAOYSA-N
XLogP0.42
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
ethane;1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 155574433
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
1-[4-(9-bromononyl)-1,4-diazepan-1-yl]ethanone
CID 105343708

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone (CID 178104636) is ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone is CC.CC(=O)N1CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is RWHCTYNGWSBESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O.C2H6/c1-13(18)17-11-9-16(10-12-17)8-7-15-5-3-14(2)4-6-15;1-2/h3-12H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone?
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 284.45 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 178104636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).