ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one

C18H37N3O2 — CID 156707629

IUPACethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(OCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C16H31N3O2.C2H6/c1-3-16(20)19-7-5-15(6-8-19)21-14-13-18-11-9-17(4-2)10-12-18;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyMNWYTRXHQRXRPY-UHFFFAOYSA-N
MW327.51 g/mol
LogP2.07
Rot. Bonds6

About ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one

ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one (PubChem CID 156707629) has the molecular formula C18H37N3O2 and a molecular weight of 327.51 g/mol. Its IUPAC name is ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Nameethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one
PubChem CID156707629
Molecular FormulaC18H37N3O2
Molecular Weight327.51 g/mol
Exact Mass327.29
IUPAC Nameethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one
SMILESCC.CCC(=O)N1CCC(OCCN2CCN(CC)CC2)CC1
InChIInChI=1S/C16H31N3O2.C2H6/c1-3-16(20)19-7-5-15(6-8-19)21-14-13-18-11-9-17(4-2)10-12-18;1-2/h15H,3-14H2,1-2H3;1-2H3
InChIKeyMNWYTRXHQRXRPY-UHFFFAOYSA-N
XLogP2.07
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.51
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Ethoxyethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53594420
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-{4-[(1-Propionyl-4-piperidyl)oxy]piperidino}-1-propanone
CID 91916304
US10927128, Example 66
CID 135332746
1,5-Bis(2,6-dimethylmorpholin-4-yl)pentane-1,5-dione
CID 2804870
2,2-Dimethyl-1-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 110876285
2,2-Dimethyl-1-[2-(piperidin-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 129255640
1-(4-{[1-(2-Methoxyacetyl)-4-piperidyl]oxy}piperidino)-1-propanone
CID 91916305
1-[4-[3-Fluoro-1-(2-methylpropyl)piperidin-4-yl]oxypiperidin-1-yl]-2-methylpropan-1-one
CID 156707530
1-[4-(3-Fluoro-1-propylpiperidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 156707590
1-{4-[(1-Methyl-4-piperidyl)oxy]piperidino}-1-butanone
CID 91916435
1-[4-[2-(Diethylamino)ethoxy]piperidin-1-yl]ethanone
CID 20760524

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one?
The IUPAC name of ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one (CID 156707629) is ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one.
What is the SMILES notation for ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one?
The canonical SMILES for ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one is CC.CCC(=O)N1CCC(OCCN2CCN(CC)CC2)CC1.
What is the InChIKey of ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one?
The InChIKey is MNWYTRXHQRXRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.C2H6/c1-3-16(20)19-7-5-15(6-8-19)21-14-13-18-11-9-17(4-2)10-12-18;1-2/h15H,3-14H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one?
ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one has a molecular weight of 327.51 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 156707629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).