ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one

C23H50N4O2 — CID 176577176

IUPACethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one
SMILESCC.CC.CCNCCOCCN1CCC(CN2CCN(CC(C)=O)CC2)CC1
InChIInChI=1S/C19H38N4O2.2C2H6/c1-3-20-6-14-25-15-13-21-7-4-19(5-8-21)17-23-11-9-22(10-12-23)16-18(2)24;2*1-2/h19-20H,3-17H2,1-2H3;2*1-2H3
InChIKeyCOIITNQGLKLJGR-UHFFFAOYSA-N
MW414.68 g/mol
LogP2.58
Rot. Bonds11

About ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one

ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one (PubChem CID 176577176) has the molecular formula C23H50N4O2 and a molecular weight of 414.68 g/mol. Its IUPAC name is ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one.

Molecular Properties

Compound Nameethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one
PubChem CID176577176
Molecular FormulaC23H50N4O2
Molecular Weight414.68 g/mol
Exact Mass414.39
IUPAC Nameethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one
SMILESCC.CC.CCNCCOCCN1CCC(CN2CCN(CC(C)=O)CC2)CC1
InChIInChI=1S/C19H38N4O2.2C2H6/c1-3-20-6-14-25-15-13-21-7-4-19(5-8-21)17-23-11-9-22(10-12-23)16-18(2)24;2*1-2/h19-20H,3-17H2,1-2H3;2*1-2H3
InChIKeyCOIITNQGLKLJGR-UHFFFAOYSA-N
XLogP2.58
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one with MolForge

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Related Compounds

N1-((1-isopropylpiperidin-4-yl)methyl)-N2-(2-morpholinoethyl)oxalamide
CID 16886595
Ethyl 2-[4-(piperidin-4-ylmethyl)piperazin-1-yl]acetate
CID 54458489
1-[4-[(2-Methylpropylamino)methyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 70264663
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 118052217
2-(Methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
CID 139421466
Ethane;1-[[1-(2-ethoxyethyl)piperidin-4-yl]methyl]piperazine
CID 142389461
Ethane;1-(2-ethoxyethyl)-4-(piperidin-4-ylmethyl)piperazine
CID 142390270
ethane;2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-[2-[2-(propylamino)ethoxy]ethyl]acetamide
CID 144172754
Ethane;2-[4-(methylaminomethyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317132
3-Methyl-5-[4-(3-methyl-2-oxobutyl)piperazin-1-yl]-1-morpholin-4-ylpentan-2-one
CID 155183406
Piperidin-4-ylmethyl 2-[4-(2-acetyloxyethyl)piperazin-1-yl]acetate
CID 156412547
2-[3-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]propoxy]-N-methylethanamine
CID 156559211

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one?
The IUPAC name of ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one (CID 176577176) is ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one.
What is the SMILES notation for ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one?
The canonical SMILES for ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one is CC.CC.CCNCCOCCN1CCC(CN2CCN(CC(C)=O)CC2)CC1.
What is the InChIKey of ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one?
The InChIKey is COIITNQGLKLJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2.2C2H6/c1-3-20-6-14-25-15-13-21-7-4-19(5-8-21)17-23-11-9-22(10-12-23)16-18(2)24;2*1-2/h19-20H,3-17H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one?
ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one has a molecular weight of 414.68 g/mol, XLogP of 2.58, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[[1-[2-[2-(ethylamino)ethoxy]ethyl]piperidin-4-yl]methyl]piperazin-1-yl]propan-2-one is sourced from PubChem (CID 176577176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).