2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone

C119H149F3N18O15 — CID 159321443

IUPAC2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O3.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22;1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21;1-25-19-6-4-3-5-16(19)18(24)13-15-7-11-23(12-8-15)14-17-20(26-2)22-10-9-21-17;1-23-17-5-3-4-6-18(17)25-14-15-7-11-22(12-8-15)13-16-19(24-2)21-10-9-20-16;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-7,10H,8-9,11-15H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyLDUXTWKTLGIBRZ-UHFFFAOYSA-N
MW2128.61 g/mol
LogP18.74
Rot. Bonds38

About 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone

2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone (PubChem CID 159321443) has the molecular formula C119H149F3N18O15 and a molecular weight of 2128.61 g/mol. Its IUPAC name is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
PubChem CID159321443
Molecular FormulaC119H149F3N18O15
Molecular Weight2128.61 g/mol
Exact Mass2127.14
IUPAC Name2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone
SMILESCC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1
InChIInChI=1S/C21H24FN3O3.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22;1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21;1-25-19-6-4-3-5-16(19)18(24)13-15-7-11-23(12-8-15)14-17-20(26-2)22-10-9-21-17;1-23-17-5-3-4-6-18(17)25-14-15-7-11-22(12-8-15)13-16-19(24-2)21-10-9-20-16;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-7,10H,8-9,11-15H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3
InChIKeyLDUXTWKTLGIBRZ-UHFFFAOYSA-N
XLogP18.74
TPSA318.60 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002128.61
LogP ≤ 518.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone 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 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The IUPAC name of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone (CID 159321443) is 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The canonical SMILES for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone is CC(C)(C)Oc1nccnc1CN1CC(CCOc2ccccc2F)C1.COc1ccccc1C(=O)CC1CCN(Cc2nccnc2OC)CC1.COc1ccccc1OCC1CCN(Cc2nccnc2OC)CC1.COc1ncccc1CN1CCC2(CC1)CN(Cc1ccccc1F)C(=O)O2.COc1nccnc1CN1CCC(CCc2cccc3c2OCC3)CC1.COc1nccnc1CN1CCC(OCc2ccccc2F)CC1.
What is the InChIKey of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
The InChIKey is LDUXTWKTLGIBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3.C21H27N3O2.C20H26FN3O2.C20H25N3O3.C19H25N3O3.C18H22FN3O2/c1-27-19-17(6-4-10-23-19)13-24-11-8-21(9-12-24)15-25(20(26)28-21)14-16-5-2-3-7-18(16)22;1-25-21-19(22-10-11-23-21)15-24-12-7-16(8-13-24)5-6-17-3-2-4-18-9-14-26-20(17)18;1-20(2,3)26-19-17(22-9-10-23-19)14-24-12-15(13-24)8-11-25-18-7-5-4-6-16(18)21;1-25-19-6-4-3-5-16(19)18(24)13-15-7-11-23(12-8-15)14-17-20(26-2)22-10-9-21-17;1-23-17-5-3-4-6-18(17)25-14-15-7-11-22(12-8-15)13-16-19(24-2)21-10-9-20-16;1-23-18-17(20-8-9-21-18)12-22-10-6-15(7-11-22)24-13-14-4-2-3-5-16(14)19/h2-7,10H,8-9,11-15H2,1H3;2-4,10-11,16H,5-9,12-15H2,1H3;4-7,9-10,15H,8,11-14H2,1-3H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;3-6,9-10,15H,7-8,11-14H2,1-2H3;2-5,8-9,15H,6-7,10-13H2,1H3.
What are the key properties of 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone?
2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone has a molecular weight of 2128.61 g/mol, XLogP of 18.74, 38 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]piperidin-1-yl]methyl]-3-methoxypyrazine;2-[[3-[2-(2-fluorophenoxy)ethyl]azetidin-1-yl]methyl]-3-[(2-methylpropan-2-yl)oxy]pyrazine;2-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-3-methoxypyrazine;3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2-methoxy-3-[[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyrazine;1-(2-methoxyphenyl)-2-[1-[(3-methoxypyrazin-2-yl)methyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 159321443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).