ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane

C34H70N2O4 — CID 142365216

IUPACethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane
SMILESCC.CC.CC.CC.CC.CCC.COC.COCC#Cc1cc(N2CCC(OC3CC(OC)C3)CC2)ccn1
InChIInChI=1S/C19H26N2O3.C3H8.C2H6O.5C2H6/c1-22-11-3-4-15-12-16(5-8-20-15)21-9-6-17(7-10-21)24-19-13-18(14-19)23-2;2*1-3-2;5*1-2/h5,8,12,17-19H,6-7,9-11,13-14H2,1-2H3;3H2,1-2H3;1-2H3;5*1-2H3
InChIKeyTVTOMSKRUSLTEI-UHFFFAOYSA-N
MW570.94 g/mol
LogP9.05
Rot. Bonds5

About ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane

ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane (PubChem CID 142365216) has the molecular formula C34H70N2O4 and a molecular weight of 570.94 g/mol. Its IUPAC name is ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane.

Molecular Properties

Compound Nameethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane
PubChem CID142365216
Molecular FormulaC34H70N2O4
Molecular Weight570.94 g/mol
Exact Mass570.53
IUPAC Nameethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane
SMILESCC.CC.CC.CC.CC.CCC.COC.COCC#Cc1cc(N2CCC(OC3CC(OC)C3)CC2)ccn1
InChIInChI=1S/C19H26N2O3.C3H8.C2H6O.5C2H6/c1-22-11-3-4-15-12-16(5-8-20-15)21-9-6-17(7-10-21)24-19-13-18(14-19)23-2;2*1-3-2;5*1-2/h5,8,12,17-19H,6-7,9-11,13-14H2,1-2H3;3H2,1-2H3;1-2H3;5*1-2H3
InChIKeyTVTOMSKRUSLTEI-UHFFFAOYSA-N
XLogP9.05
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.94
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane?
The IUPAC name of ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane (CID 142365216) is ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane.
What is the SMILES notation for ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane?
The canonical SMILES for ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane is CC.CC.CC.CC.CC.CCC.COC.COCC#Cc1cc(N2CCC(OC3CC(OC)C3)CC2)ccn1.
What is the InChIKey of ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane?
The InChIKey is TVTOMSKRUSLTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.C3H8.C2H6O.5C2H6/c1-22-11-3-4-15-12-16(5-8-20-15)21-9-6-17(7-10-21)24-19-13-18(14-19)23-2;2*1-3-2;5*1-2/h5,8,12,17-19H,6-7,9-11,13-14H2,1-2H3;3H2,1-2H3;1-2H3;5*1-2H3.
What are the key properties of ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane?
ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane has a molecular weight of 570.94 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]-2-(3-methoxyprop-1-ynyl)pyridine;methoxymethane;propane is sourced from PubChem (CID 142365216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).