ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

C17H37N3O2 — CID 171833651

IUPACethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CC.COC1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O2.2C2H6/c1-14-7-9-15(10-8-14)11-13(17)16-5-3-12(18-2)4-6-16;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3
InChIKeyOPCBPUXZSBFPLO-UHFFFAOYSA-N
MW315.50 g/mol
LogP1.92
Rot. Bonds3

About ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone

ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (PubChem CID 171833651) has the molecular formula C17H37N3O2 and a molecular weight of 315.50 g/mol. Its IUPAC name is ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
PubChem CID171833651
Molecular FormulaC17H37N3O2
Molecular Weight315.50 g/mol
Exact Mass315.29
IUPAC Nameethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
SMILESCC.CC.COC1CCN(C(=O)CN2CCN(C)CC2)CC1
InChIInChI=1S/C13H25N3O2.2C2H6/c1-14-7-9-15(10-8-14)11-13(17)16-5-3-12(18-2)4-6-16;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3
InChIKeyOPCBPUXZSBFPLO-UHFFFAOYSA-N
XLogP1.92
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
1-[2-(4-methoxypiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63571418
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
2-(4-methylpiperazin-1-yl)-1-[4-(propylamino)piperidin-1-yl]ethanone
CID 170861389
ethane;ethyl 2-(4-methoxypiperidin-1-yl)acetate
CID 176667443
ethane;2-[4-(methylamino)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 156836891
2-(4-methylpiperazin-1-yl)-1-(4-phenylpiperidin-1-yl)ethanone
CID 141171395
2-(4-methyl-1,4-diazepan-1-yl)-1-[4-(2-methylphenoxy)piperidin-1-yl]ethanone
CID 90650172
3-chloro-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 43373029
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;hydrochloride
CID 141282444
2-(4-methylpiperazin-1-yl)-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 66546739
5-bromo-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 107908012

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone (CID 171833651) is ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is CC.CC.COC1CCN(C(=O)CN2CCN(C)CC2)CC1.
What is the InChIKey of ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is OPCBPUXZSBFPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2C2H6/c1-14-7-9-15(10-8-14)11-13(17)16-5-3-12(18-2)4-6-16;2*1-2/h12H,3-11H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone?
ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 315.50 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxypiperidin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 171833651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).