1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one

C129H137Cl3F4N18O10 — CID 158055677

IUPAC1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2cccc(Cl)c2)cc1.Cc1ccc2[nH]c(C(=O)CCCN3CCC4(CC3)C(=O)NCN4c3cccc(Cl)c3)cc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1ccc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1cnc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1cnc2ccccc2c1
InChIInChI=1S/C27H27F2N3O2.C26H29ClN4O2.C26H27ClN4O2.C26H26F2N4O2.C24H28ClN3O2/c28-23-10-9-22(17-24(23)29)32-18-30-26(34)27(32)11-14-31(15-12-27)13-3-6-25(33)21-8-7-19-4-1-2-5-20(19)16-21;1-18-7-8-22-19(14-18)15-23(29-22)24(32)6-3-11-30-12-9-26(10-13-30)25(33)28-17-31(26)21-5-2-4-20(27)16-21;27-21-6-3-7-22(16-21)31-18-29-25(33)26(31)10-13-30(14-11-26)12-4-9-24(32)20-15-19-5-1-2-8-23(19)28-17-20;27-21-8-7-20(15-22(21)28)32-17-30-25(34)26(32)9-12-31(13-10-26)11-3-6-24(33)19-14-18-4-1-2-5-23(18)29-16-19;1-18-7-9-19(10-8-18)22(29)6-3-13-27-14-11-24(12-15-27)23(30)26-17-28(24)21-5-2-4-20(25)16-21/h1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H,30,34);2,4-5,7-8,14-16,29H,3,6,9-13,17H2,1H3,(H,28,33);1-3,5-8,15-17H,4,9-14,18H2,(H,29,33);1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,30,34);2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,26,30)
InChIKeyFKAFEPBAIPUOBC-UHFFFAOYSA-N
MW2281.98 g/mol
LogP21.25
Rot. Bonds30

About 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 158055677) has the molecular formula C129H137Cl3F4N18O10 and a molecular weight of 2281.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID158055677
Molecular FormulaC129H137Cl3F4N18O10
Molecular Weight2281.98 g/mol
Exact Mass2278.98
IUPAC Name1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2cccc(Cl)c2)cc1.Cc1ccc2[nH]c(C(=O)CCCN3CCC4(CC3)C(=O)NCN4c3cccc(Cl)c3)cc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1ccc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1cnc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1cnc2ccccc2c1
InChIInChI=1S/C27H27F2N3O2.C26H29ClN4O2.C26H27ClN4O2.C26H26F2N4O2.C24H28ClN3O2/c28-23-10-9-22(17-24(23)29)32-18-30-26(34)27(32)11-14-31(15-12-27)13-3-6-25(33)21-8-7-19-4-1-2-5-20(19)16-21;1-18-7-8-22-19(14-18)15-23(29-22)24(32)6-3-11-30-12-9-26(10-13-30)25(33)28-17-31(26)21-5-2-4-20(27)16-21;27-21-6-3-7-22(16-21)31-18-29-25(33)26(31)10-13-30(14-11-26)12-4-9-24(32)20-15-19-5-1-2-8-23(19)28-17-20;27-21-8-7-20(15-22(21)28)32-17-30-25(34)26(32)9-12-31(13-10-26)11-3-6-24(33)19-14-18-4-1-2-5-23(18)29-16-19;1-18-7-9-19(10-8-18)22(29)6-3-13-27-14-11-24(12-15-27)23(30)26-17-28(24)21-5-2-4-20(25)16-21/h1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H,30,34);2,4-5,7-8,14-16,29H,3,6,9-13,17H2,1H3,(H,28,33);1-3,5-8,15-17H,4,9-14,18H2,(H,29,33);1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,30,34);2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,26,30)
InChIKeyFKAFEPBAIPUOBC-UHFFFAOYSA-N
XLogP21.25
TPSA304.82 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds30
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002281.98
LogP ≤ 521.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 158055677) is 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one is Cc1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2cccc(Cl)c2)cc1.Cc1ccc2[nH]c(C(=O)CCCN3CCC4(CC3)C(=O)NCN4c3cccc(Cl)c3)cc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1ccc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1ccc(F)c(F)c1)c1cnc2ccccc2c1.O=C(CCCN1CCC2(CC1)C(=O)NCN2c1cccc(Cl)c1)c1cnc2ccccc2c1.
What is the InChIKey of 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is FKAFEPBAIPUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O2.C26H29ClN4O2.C26H27ClN4O2.C26H26F2N4O2.C24H28ClN3O2/c28-23-10-9-22(17-24(23)29)32-18-30-26(34)27(32)11-14-31(15-12-27)13-3-6-25(33)21-8-7-19-4-1-2-5-20(19)16-21;1-18-7-8-22-19(14-18)15-23(29-22)24(32)6-3-11-30-12-9-26(10-13-30)25(33)28-17-31(26)21-5-2-4-20(27)16-21;27-21-6-3-7-22(16-21)31-18-29-25(33)26(31)10-13-30(14-11-26)12-4-9-24(32)20-15-19-5-1-2-8-23(19)28-17-20;27-21-8-7-20(15-22(21)28)32-17-30-25(34)26(32)9-12-31(13-10-26)11-3-6-24(33)19-14-18-4-1-2-5-23(18)29-16-19;1-18-7-9-19(10-8-18)22(29)6-3-13-27-14-11-24(12-15-27)23(30)26-17-28(24)21-5-2-4-20(25)16-21/h1-2,4-5,7-10,16-17H,3,6,11-15,18H2,(H,30,34);2,4-5,7-8,14-16,29H,3,6,9-13,17H2,1H3,(H,28,33);1-3,5-8,15-17H,4,9-14,18H2,(H,29,33);1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,30,34);2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,26,30).
What are the key properties of 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 2281.98 g/mol, XLogP of 21.25, 30 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one;1-(3-chlorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-naphthalen-2-yl-4-oxobutyl)-1,3,8-triazaspiro[4.5]decan-4-one;1-(3,4-difluorophenyl)-8-(4-oxo-4-quinolin-3-ylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 158055677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).