1,2-bis(4-methylpiperazin-1-yl)ethanone

C84H168N28O7 — CID 160964399

IUPAC1,2-bis(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/7C12H24N4O/c7*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h7*3-11H2,1-2H3
InChIKeySXKPZEZBLQSFNQ-UHFFFAOYSA-N
MW1682.46 g/mol
LogP-6.95
Rot. Bonds14

About 1,2-bis(4-methylpiperazin-1-yl)ethanone

1,2-bis(4-methylpiperazin-1-yl)ethanone (PubChem CID 160964399) has the molecular formula C84H168N28O7 and a molecular weight of 1682.46 g/mol. Its IUPAC name is 1,2-bis(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(4-methylpiperazin-1-yl)ethanone
PubChem CID160964399
Molecular FormulaC84H168N28O7
Molecular Weight1682.46 g/mol
Exact Mass1681.37
IUPAC Name1,2-bis(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/7C12H24N4O/c7*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h7*3-11H2,1-2H3
InChIKeySXKPZEZBLQSFNQ-UHFFFAOYSA-N
XLogP-6.95
TPSA210.21 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.46
LogP ≤ 5-6.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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Related Compounds

methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 171833651
2-(4-acetylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 14226088
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416
2-[4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 95388910
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103897872

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 1,2-bis(4-methylpiperazin-1-yl)ethanone (CID 160964399) is 1,2-bis(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 1,2-bis(4-methylpiperazin-1-yl)ethanone is CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.CN1CCN(CC(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
The InChIKey is SXKPZEZBLQSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H24N4O/c7*1-13-3-7-15(8-4-13)11-12(17)16-9-5-14(2)6-10-16/h7*3-11H2,1-2H3.
What are the key properties of 1,2-bis(4-methylpiperazin-1-yl)ethanone?
1,2-bis(4-methylpiperazin-1-yl)ethanone has a molecular weight of 1682.46 g/mol, XLogP of -6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 160964399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).