bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine

C168H243N19O22 — CID 157372488

IUPACbis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
SMILESCC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC1CCN(CC2CC(CC)C2)CC1.CCc1ccc(CN2CCN(COC3CC(OC)C3)CC2)nc1.CCc1ccc(OC2CC(OC)C2)cn1.COC1CC(OCC2CCN(CC3CN(C)C3)CC2)C1
InChIInChI=1S/C18H29N3O2.C16H30N2O2.2C14H19NO2.2C14H17NO2.C14H27N.2C13H18N2O2.2C13H16N2O2.C12H17NO2/c1-3-15-4-5-16(19-12-15)13-20-6-8-21(9-7-20)14-23-18-10-17(11-18)22-2;1-17-9-14(10-17)11-18-5-3-13(4-6-18)12-20-16-7-15(8-16)19-2;4*1-3-4-5-11-6-7-12(10-15-11)17-14-8-13(9-14)16-2;1-3-12-5-7-15(8-6-12)11-14-9-13(4-2)10-14;4*1-3-4-5-13-14-8-12(9-15-13)17-11-6-10(7-11)16-2;1-3-9-4-5-10(8-13-9)15-12-6-11(7-12)14-2/h4-5,12,17-18H,3,6-11,13-14H2,1-2H3;13-16H,3-12H2,1-2H3;2*4-7,10,13-14H,3,8-9H2,1-2H3;2*6-7,10,13-14H,3,8-9H2,1-2H3;12-14H,3-11H2,1-2H3;2*4-5,8-11H,3,6-7H2,1-2H3;2*8-11H,3,6-7H2,1-2H3;4-5,8,11-12H,3,6-7H2,1-2H3/b;;2*5-4+;;;;2*5-4+;;;
InChIKeyBJXTYDNWBROPHF-XSJYEEIHSA-N
MW2880.90 g/mol
LogP28.53
Rot. Bonds53

About bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine

bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine (PubChem CID 157372488) has the molecular formula C168H243N19O22 and a molecular weight of 2880.90 g/mol. Its IUPAC name is bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine.

Molecular Properties

Compound Namebis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
PubChem CID157372488
Molecular FormulaC168H243N19O22
Molecular Weight2880.90 g/mol
Exact Mass2878.85
IUPAC Namebis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine
SMILESCC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC1CCN(CC2CC(CC)C2)CC1.CCc1ccc(CN2CCN(COC3CC(OC)C3)CC2)nc1.CCc1ccc(OC2CC(OC)C2)cn1.COC1CC(OCC2CCN(CC3CN(C)C3)CC2)C1
InChIInChI=1S/C18H29N3O2.C16H30N2O2.2C14H19NO2.2C14H17NO2.C14H27N.2C13H18N2O2.2C13H16N2O2.C12H17NO2/c1-3-15-4-5-16(19-12-15)13-20-6-8-21(9-7-20)14-23-18-10-17(11-18)22-2;1-17-9-14(10-17)11-18-5-3-13(4-6-18)12-20-16-7-15(8-16)19-2;4*1-3-4-5-11-6-7-12(10-15-11)17-14-8-13(9-14)16-2;1-3-12-5-7-15(8-6-12)11-14-9-13(4-2)10-14;4*1-3-4-5-13-14-8-12(9-15-13)17-11-6-10(7-11)16-2;1-3-9-4-5-10(8-13-9)15-12-6-11(7-12)14-2/h4-5,12,17-18H,3,6-11,13-14H2,1-2H3;13-16H,3-12H2,1-2H3;2*4-7,10,13-14H,3,8-9H2,1-2H3;2*6-7,10,13-14H,3,8-9H2,1-2H3;12-14H,3-11H2,1-2H3;2*4-5,8-11H,3,6-7H2,1-2H3;2*8-11H,3,6-7H2,1-2H3;4-5,8,11-12H,3,6-7H2,1-2H3/b;;2*5-4+;;;;2*5-4+;;;
InChIKeyBJXTYDNWBROPHF-XSJYEEIHSA-N
XLogP28.53
TPSA399.72 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds53
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.90
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The IUPAC name of bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine (CID 157372488) is bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine.
What is the SMILES notation for bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The canonical SMILES for bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine is CC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ccc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CC/C=C/c1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ccc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC#Cc1ncc(OC2CC(OC)C2)cn1.CCC1CCN(CC2CC(CC)C2)CC1.CCc1ccc(CN2CCN(COC3CC(OC)C3)CC2)nc1.CCc1ccc(OC2CC(OC)C2)cn1.COC1CC(OCC2CCN(CC3CN(C)C3)CC2)C1.
What is the InChIKey of bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
The InChIKey is BJXTYDNWBROPHF-XSJYEEIHSA-N. The full InChI is InChI=1S/C18H29N3O2.C16H30N2O2.2C14H19NO2.2C14H17NO2.C14H27N.2C13H18N2O2.2C13H16N2O2.C12H17NO2/c1-3-15-4-5-16(19-12-15)13-20-6-8-21(9-7-20)14-23-18-10-17(11-18)22-2;1-17-9-14(10-17)11-18-5-3-13(4-6-18)12-20-16-7-15(8-16)19-2;4*1-3-4-5-11-6-7-12(10-15-11)17-14-8-13(9-14)16-2;1-3-12-5-7-15(8-6-12)11-14-9-13(4-2)10-14;4*1-3-4-5-13-14-8-12(9-15-13)17-11-6-10(7-11)16-2;1-3-9-4-5-10(8-13-9)15-12-6-11(7-12)14-2/h4-5,12,17-18H,3,6-11,13-14H2,1-2H3;13-16H,3-12H2,1-2H3;2*4-7,10,13-14H,3,8-9H2,1-2H3;2*6-7,10,13-14H,3,8-9H2,1-2H3;12-14H,3-11H2,1-2H3;2*4-5,8-11H,3,6-7H2,1-2H3;2*8-11H,3,6-7H2,1-2H3;4-5,8,11-12H,3,6-7H2,1-2H3/b;;2*5-4+;;;;2*5-4+;;;.
What are the key properties of bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine?
bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine has a molecular weight of 2880.90 g/mol, XLogP of 28.53, 53 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyridine);bis(2-[(E)-but-1-enyl]-5-(3-methoxycyclobutyl)oxypyrimidine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyridine);bis(2-but-1-ynyl-5-(3-methoxycyclobutyl)oxypyrimidine);4-ethyl-1-[(3-ethylcyclobutyl)methyl]piperidine;2-ethyl-5-(3-methoxycyclobutyl)oxypyridine;1-[(5-ethyl-2-pyridinyl)methyl]-4-[(3-methoxycyclobutyl)oxymethyl]piperazine;4-[(3-methoxycyclobutyl)oxymethyl]-1-[(1-methylazetidin-3-yl)methyl]piperidine is sourced from PubChem (CID 157372488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).