ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane

C28H65N3O3 — CID 142368331

IUPACethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane
SMILESCC.CC.CC.CCC.COC.COC1CC(OC2CCN(CCN3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H33N3O2.C3H8.C2H6O.3C2H6/c1-18-7-9-20(10-8-18)12-11-19-5-3-15(4-6-19)22-17-13-16(14-17)21-2;2*1-3-2;3*1-2/h15-17H,3-14H2,1-2H3;3H2,1-2H3;1-2H3;3*1-2H3
InChIKeyQVAQLOWCWUQCKP-UHFFFAOYSA-N
MW491.85 g/mol
LogP5.65
Rot. Bonds6

About ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane

ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane (PubChem CID 142368331) has the molecular formula C28H65N3O3 and a molecular weight of 491.85 g/mol. Its IUPAC name is ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane.

Molecular Properties

Compound Nameethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane
PubChem CID142368331
Molecular FormulaC28H65N3O3
Molecular Weight491.85 g/mol
Exact Mass491.50
IUPAC Nameethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane
SMILESCC.CC.CC.CCC.COC.COC1CC(OC2CCN(CCN3CCN(C)CC3)CC2)C1
InChIInChI=1S/C17H33N3O2.C3H8.C2H6O.3C2H6/c1-18-7-9-20(10-8-18)12-11-19-5-3-15(4-6-19)22-17-13-16(14-17)21-2;2*1-3-2;3*1-2/h15-17H,3-14H2,1-2H3;3H2,1-2H3;1-2H3;3*1-2H3
InChIKeyQVAQLOWCWUQCKP-UHFFFAOYSA-N
XLogP5.65
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.85
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane?
The IUPAC name of ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane (CID 142368331) is ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane.
What is the SMILES notation for ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane?
The canonical SMILES for ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane is CC.CC.CC.CCC.COC.COC1CC(OC2CCN(CCN3CCN(C)CC3)CC2)C1.
What is the InChIKey of ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane?
The InChIKey is QVAQLOWCWUQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.C3H8.C2H6O.3C2H6/c1-18-7-9-20(10-8-18)12-11-19-5-3-15(4-6-19)22-17-13-16(14-17)21-2;2*1-3-2;3*1-2/h15-17H,3-14H2,1-2H3;3H2,1-2H3;1-2H3;3*1-2H3.
What are the key properties of ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane?
ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane has a molecular weight of 491.85 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]ethyl]-4-methylpiperazine;methoxymethane;propane is sourced from PubChem (CID 142368331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).