2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)

C83H160N22O7 — CID 162077646

IUPAC2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
SMILESCN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/6C12H23N3O.C11H22N4O/c6*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h6*2-11H2,1H3;12H,2-10H2,1H3
InChIKeyZBXLNMCKDNNPFI-UHFFFAOYSA-N
MW1578.34 g/mol
LogP0.14
Rot. Bonds14

About 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)

2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) (PubChem CID 162077646) has the molecular formula C83H160N22O7 and a molecular weight of 1578.34 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone).

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
PubChem CID162077646
Molecular FormulaC83H160N22O7
Molecular Weight1578.34 g/mol
Exact Mass1577.28
IUPAC Name2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
SMILESCN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCNCC2)CC1
InChIInChI=1S/6C12H23N3O.C11H22N4O/c6*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h6*2-11H2,1H3;12H,2-10H2,1H3
InChIKeyZBXLNMCKDNNPFI-UHFFFAOYSA-N
XLogP0.14
TPSA199.56 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001578.34
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

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Launch Full Analysis

Related Compounds

1-Methyl-4-propan-2-ylpiperazine;bis(1-methyl-4-propan-2-ylpiperazin-2-one);1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 167592538
1-Methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine-2,3-dione;1-methyl-4-propan-2-ylpiperazin-2-one;1-propan-2-ylpiperazine;1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazine;1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 167601426
4-[2-(3,5-Dioxopiperazin-1-yl)butyl]piperazine-2,6-dione;4-[3-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;3-methyl-4-[2-(2-methyl-3,5-dioxopiperazin-1-yl)ethyl]piperazine-2,6-dione
CID 21657814
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91516904
N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperidin-1-yl]methyl]piperidin-1-yl]acetamide
CID 135174558
N-methyl-2-[4-[[4-[2-[[2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetyl]amino]ethyl]piperazin-1-yl]methyl]piperidin-1-yl]acetamide
CID 135279210
N-[2-[4-[[1-[2-(iodoamino)-2-oxoethyl]piperidin-4-yl]methyl]piperazin-1-yl]ethyl]-2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]acetamide
CID 155031447
Methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
bis(N-[2-[acetyl(methyl)amino]ethyl]-N-methylacetamide);N-methylacetamide;1-(4-methylpiperidin-1-yl)ethanone;tris(1-piperidin-1-ylethanone)
CID 157183764
methane;tetrakis(N-methyl-2-(4-methylpiperazin-1-yl)acetamide)
CID 157327640
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N-[3-(dimethylamino)propyl]-N,1-dimethyl-4-(propan-2-ylamino)piperidine-4-carboxamide;N,1-dimethyl-N-(1-methylpiperidin-4-yl)-4-(propan-2-ylamino)piperidine-4-carboxamide;1-methyl-4-(propan-2-ylamino)piperidine-4-carboxamide
CID 157734997
Tris(1-tert-butyl-4-methylpiperazine);1-tert-butylpiperazine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
CID 158255635

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) (CID 162077646) is 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone).
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) is CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCCCC2)CC1.CN1CCN(CC(=O)N2CCNCC2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The InChIKey is ZBXLNMCKDNNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/6C12H23N3O.C11H22N4O/c6*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;1-13-6-8-14(9-7-13)10-11(16)15-4-2-12-3-5-15/h6*2-11H2,1H3;12H,2-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) has a molecular weight of 1578.34 g/mol, XLogP of 0.14, 14 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-piperazin-1-ylethanone;hexakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) is sourced from PubChem (CID 162077646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).