methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)

C85H165N21O7 — CID 160808307

IUPACmethane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
SMILESC.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)N2CCCCC2)CC1
InChIInChI=1S/7C12H23N3O.CH4/c7*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;/h7*2-11H2,1H3;1H4
InChIKeySDZGZPOAMPVCEY-UHFFFAOYSA-N
MW1593.39 g/mol
LogP2.36
Rot. Bonds14

About methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)

methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) (PubChem CID 160808307) has the molecular formula C85H165N21O7 and a molecular weight of 1593.39 g/mol. Its IUPAC name is methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone).

Molecular Properties

Compound Namemethane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
PubChem CID160808307
Molecular FormulaC85H165N21O7
Molecular Weight1593.39 g/mol
Exact Mass1592.32
IUPAC Namemethane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
SMILESC.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)N2CCCCC2)CC1
InChIInChI=1S/7C12H23N3O.CH4/c7*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;/h7*2-11H2,1H3;1H4
InChIKeySDZGZPOAMPVCEY-UHFFFAOYSA-N
XLogP2.36
TPSA187.53 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds14
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001593.39
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

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Related Compounds

1-(3,5-Dimethylpiperidin-1-yl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethanone
CID 3338710
3-(4-Methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 22086287
Methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1,4-Dimethylpiperazine;1,4-dimethylpiperazine-2,3-dione;1,4-dimethylpiperazine-2,5-dione;1,4-dimethylpiperazine-2,6-dione;1,4-dimethylpiperazin-2-one;ethane;methane
CID 157133118
Ethane;3-(4-methylpiperazin-1-yl)-1-[4-[3-[4-[3-[4-[3-(4-methylpiperazin-1-yl)propanoyl]piperazin-1-yl]-3-oxopropyl]piperazin-1-yl]propanoyl]piperazin-1-yl]propan-1-one
CID 157188147
1-Ethyl-2,4-dimethylpiperazine;4-ethyl-1,2-dimethylpiperazine;1-ethyl-4-methylpiperazine;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;1-ethyl-2,3,4-trimethylpiperazine;1-ethyl-2,4,6-trimethylpiperazine;4-ethyl-1,2,6-trimethylpiperazine
CID 157371970
CID 157844819
CID 157844819
(2S)-1,2-dimethyl-4-propan-2-ylpiperazine;3,3-dimethyl-1-propan-2-ylpiperidine;methane;2,2,4-trimethyl-1-propan-2-ylpiperazine;1,3,3-trimethyl-4-propan-2-ylpiperazin-2-one;1,5,5-trimethyl-4-propan-2-ylpiperazin-2-one
CID 158075959
Ethane;1-ethyl-4-methylpiperazine-2,3-dione;1-ethyl-4-methylpiperazine-2,6-dione;4-ethyl-1-methylpiperazine-2,6-dione;1-ethyl-4-methylpiperazin-2-one;4-ethyl-1-methylpiperazin-2-one;methane
CID 158087941
2-(Didodecylamino)-1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-dodecylamino]acetyl]piperazin-1-yl]ethanone;2-(didodecylamino)-1-[4-[2-[2-[di(nonyl)amino]ethyl-nonylamino]acetyl]piperazin-1-yl]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-dodecylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone;1-[4-[2-[2-(didodecylamino)ethyl-nonylamino]acetyl]piperazin-1-yl]-2-[di(nonyl)amino]ethanone
CID 158630040
(2R,5S)-2,5-dimethyl-1-propan-2-ylpiperazine;1,4-di(propan-2-yl)piperazine;2-ethyl-4-methyl-1-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperazine;3-ethyl-1-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperazine;2-methyl-1-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpiperazine;3-piperidin-1-yl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one;1-propan-2-ylpiperazine;4-propan-2-ylpiperazin-2-one;1-(4-propan-2-ylpiperazin-1-yl)ethanone;1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 158792794
Methane;nonakis(1-[4-[2-(4-methylpiperazin-1-yl)acetyl]piperazin-1-yl]pentane-1,4-dione)
CID 158947743

Frequently Asked Questions

What is the IUPAC name of methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The IUPAC name of methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) (CID 160808307) is methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone).
What is the SMILES notation for methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The canonical SMILES for methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) is C.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)N2CCCCC2)CC1.
What is the InChIKey of methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
The InChIKey is SDZGZPOAMPVCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/7C12H23N3O.CH4/c7*1-13-7-9-14(10-8-13)11-12(16)15-5-3-2-4-6-15;/h7*2-11H2,1H3;1H4.
What are the key properties of methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)?
methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) has a molecular weight of 1593.39 g/mol, XLogP of 2.36, 14 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;heptakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone) is sourced from PubChem (CID 160808307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).