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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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

C127H137Cl2F6N17O10 — CID 160533661

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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 160533661) has the molecular formula C127H137Cl2F6N17O10 and a molecular weight of 2246.50 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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 Name: 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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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: 160533661
• Molecular Formula: C127H137Cl2F6N17O10
• Molecular Weight: 2246.50 g/mol
• Exact Mass: 2244.00
• IUPAC Name: 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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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
• SMILES: Cc1ccc(C(=O)CCCN2CCC3(CC2)C(=O)NCN3c2ccc(F)c(F)c2)cc1.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
• InChI: InChI=1S/C27H27F2N3O2.C26H29ClN4O2.C26H26F2N4O2.C24H28ClN3O2.C24H27F2N3O2/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;27-21-8-7-20(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;1-17-4-6-18(7-5-17)22(30)3-2-12-28-13-10-24(11-14-28)23(31)27-16-29(24)19-8-9-20(25)21(26)15-19/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);1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,30,34);2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,26,30);4-9,15H,2-3,10-14,16H2,1H3,(H,27,31)
• InChIKey: QVWLGEWLYOLREI-UHFFFAOYSA-N
• XLogP: 20.64
• TPSA: 291.93 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2246.50
LogP ≤ 5	20.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 160533661) 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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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)NCN3c2ccc(F)c(F)c2)cc1.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.

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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 QVWLGEWLYOLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O2.C26H29ClN4O2.C26H26F2N4O2.C24H28ClN3O2.C24H27F2N3O2/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;27-21-8-7-20(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;1-17-4-6-18(7-5-17)22(30)3-2-12-28-13-10-24(11-14-28)23(31)27-16-29(24)19-8-9-20(25)21(26)15-19/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);1-2,4-5,7-8,14-16H,3,6,9-13,17H2,(H,30,34);2,4-5,7-10,16H,3,6,11-15,17H2,1H3,(H,26,30);4-9,15H,2-3,10-14,16H2,1H3,(H,27,31).

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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 2246.50 g/mol, XLogP of 20.64, 30 rotatable bonds, 6 hydrogen bond donors, and 21 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-(3,4-difluorophenyl)-8-[4-(4-methylphenyl)-4-oxobutyl]-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 160533661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).