ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone

C22H46N4O — CID 156836987

IUPACethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC.CC.CN1CCC(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O.2C2H6/c1-19-7-3-16(4-8-19)17-5-9-22(10-6-17)18(23)15-21-13-11-20(2)12-14-21;2*1-2/h16-17H,3-15H2,1-2H3;2*1-2H3
InChIKeyPOZBZUIPRLZLSY-UHFFFAOYSA-N
MW382.64 g/mol
LogP2.87
Rot. Bonds3

About ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone

ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 156836987) has the molecular formula C22H46N4O and a molecular weight of 382.64 g/mol. Its IUPAC name is ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Nameethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
PubChem CID156836987
Molecular FormulaC22H46N4O
Molecular Weight382.64 g/mol
Exact Mass382.37
IUPAC Nameethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
SMILESCC.CC.CN1CCC(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C18H34N4O.2C2H6/c1-19-7-3-16(4-8-19)17-5-9-22(10-6-17)18(23)15-21-13-11-20(2)12-14-21;2*1-2/h16-17H,3-15H2,1-2H3;2*1-2H3
InChIKeyPOZBZUIPRLZLSY-UHFFFAOYSA-N
XLogP2.87
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 28908527
N-methyl-N-(4-methylcyclohexyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]acetamide
CID 75386859
2-(3-Methylpiperidin-1-yl)-1-[4-[2-(3-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226820
1-(3,5-Dimethylpiperidin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229560
2-[4-[2-[bis(3-methylbutyl)amino]-2-oxoethyl]-1,4-diazoniabicyclo[2.2.2]octan-1-yl]-N,N-bis(3-methylbutyl)acetamide
CID 3576906
2-[4-(3,5-Dimethylpiperidine-1-carbonyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 46384982
1-(4-Cyclobutylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethanone
CID 57513904
1-(4-Cyclohexylpiperazin-1-yl)-2-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]ethanone
CID 57513906
2-(4-Tert-butylpiperidin-1-yl)-1-piperidin-1-ylethanone
CID 58394744
2-(4-Methylpiperazin-1-yl)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 58394915
1-(4-Tert-butylpiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 58525104

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone (CID 156836987) is ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone is CC.CC.CN1CCC(C2CCN(C(=O)CN3CCN(C)CC3)CC2)CC1.
What is the InChIKey of ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is POZBZUIPRLZLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.2C2H6/c1-19-7-3-16(4-8-19)17-5-9-22(10-6-17)18(23)15-21-13-11-20(2)12-14-21;2*1-2/h16-17H,3-15H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone?
ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 382.64 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 156836987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).