ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone

C13H27N3O — CID 145305613

IUPACethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
SMILESCC.CC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2/h11-12H,2-9H2,1H3;1-2H3
InChIKeyRZZPUIXDSBHLCN-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds1

About ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone

ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone (PubChem CID 145305613) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
PubChem CID145305613
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Nameethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
SMILESCC.CC(=O)N1CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H21N3O.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2/h11-12H,2-9H2,1H3;1-2H3
InChIKeyRZZPUIXDSBHLCN-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone;propan-1-amine
CID 142549044
1-(4-cyclopentylpiperazin-1-yl)ethanone;ethane
CID 143413632
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808
2-piperazin-1-yl-1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 170084161
[(3R)-4,4-dimethylpyrrolidin-3-yl]-(4-piperidin-4-ylpiperazin-1-yl)methanone
CID 170144874
(4-cyclopentylpiperazin-1-yl)-piperazin-1-ylmethanone
CID 55063692
1-methyl-4-piperidin-4-ylpiperazine;hydrochloride
CID 45074780
N-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]piperidine-4-carboxamide
CID 108508465
[4-[(4-piperidin-4-ylpiperazine-1-carbonyl)amino]piperidin-1-yl] acetate;dihydrochloride
CID 174395143
(4-ethoxypiperidin-1-yl)-(4-piperidin-4-ylpiperazin-1-yl)methanone;methyl acetate;dihydrochloride
CID 174395615
N-[(1-piperidin-4-ylpiperidin-4-yl)methyl]acetamide
CID 102736375
[2-methyl-1-(4-piperidin-4-ylpiperazin-1-yl)propan-2-yl] acetate
CID 151134239

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone (CID 145305613) is ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone is CC.CC(=O)N1CCN(C2CCNCC2)CC1.
What is the InChIKey of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is RZZPUIXDSBHLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.C2H6/c1-10(15)13-6-8-14(9-7-13)11-2-4-12-5-3-11;1-2/h11-12H,2-9H2,1H3;1-2H3.
What are the key properties of ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone?
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 241.38 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 145305613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).