1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

C127H184F2N22O13S3 — CID 158109280

About 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide

1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (PubChem CID 158109280) has the molecular formula C127H184F2N22O13S3 and a molecular weight of 2361.21 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
• PubChem CID: 158109280
• Molecular Formula: C127H184F2N22O13S3
• Molecular Weight: 2361.21 g/mol
• Exact Mass: 2359.35
• IUPAC Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)CN1C(=O)N(CCS(C)(=O)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(C1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3ccnnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1
• InChI: InChI=1S/C29H39FN6O.C29H40N6O.C24H37N3O4S.C23H36N4O4S.C22H32FN3O3S/c1-33(2)29(23-4-3-5-24(30)16-23)12-10-28(11-13-29)20-35(27(37)36(28)19-22-6-7-22)25-8-14-34(15-9-25)26-17-31-21-32-18-26;1-32(2)29(24-6-4-3-5-7-24)15-13-28(14-16-29)22-34(27(36)35(28)21-23-8-9-23)25-11-18-33(19-12-25)26-10-17-30-31-20-26;1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)18-26(16-17-32(3,30)31)21(28)27(22)19-23(29)10-7-11-23;1-24(2)20(28)17-27-21(29)26(15-16-32(5,30)31)18-22(27)11-13-23(14-12-22,25(3)4)19-9-7-6-8-10-19;1-24-22(18-4-3-5-19(23)14-18)10-8-21(9-11-22)16-25(12-13-30(2,28)29)20(27)26(21)15-17-6-7-17/h3-5,16-18,21-22,25H,6-15,19-20H2,1-2H3;3-7,10,17,20,23,25H,8-9,11-16,18-19,21-22H2,1-2H3;4-6,8-9,29H,7,10-19H2,1-3H3;6-10H,11-18H2,1-5H3;3-5,14,17,24H,6-13,15-16H2,1-2H3
• InChIKey: FQFMHDBXGJUEDT-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 343.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2361.21
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide (CID 158109280) is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1C(=O)N(CCS(C)(=O)=O)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(C1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3ccnnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1(O)CCC1.CNC1(c2cccc(F)c2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CC1CC1.

What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?

The InChIKey is FQFMHDBXGJUEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39FN6O.C29H40N6O.C24H37N3O4S.C23H36N4O4S.C22H32FN3O3S/c1-33(2)29(23-4-3-5-24(30)16-23)12-10-28(11-13-29)20-35(27(37)36(28)19-22-6-7-22)25-8-14-34(15-9-25)26-17-31-21-32-18-26;1-32(2)29(24-6-4-3-5-7-24)15-13-28(14-16-29)22-34(27(36)35(28)21-23-8-9-23)25-11-18-33(19-12-25)26-10-17-30-31-20-26;1-25(2)24(20-8-5-4-6-9-20)14-12-22(13-15-24)18-26(16-17-32(3,30)31)21(28)27(22)19-23(29)10-7-11-23;1-24(2)20(28)17-27-21(29)26(15-16-32(5,30)31)18-22(27)11-13-23(14-12-22,25(3)4)19-9-7-6-8-10-19;1-24-22(18-4-3-5-19(23)14-18)10-8-21(9-11-22)16-25(12-13-30(2,28)29)20(27)26(21)15-17-6-7-17/h3-5,16-18,21-22,25H,6-15,19-20H2,1-2H3;3-7,10,17,20,23,25H,8-9,11-16,18-19,21-22H2,1-2H3;4-6,8-9,29H,7,10-19H2,1-3H3;6-10H,11-18H2,1-5H3;3-5,14,17,24H,6-13,15-16H2,1-2H3.

What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide?

1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide has a molecular weight of 2361.21 g/mol, XLogP of 15.69, 33 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-(1-pyridazin-4-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(3-fluorophenyl)-8-(methylamino)-3-(2-methylsulfonylethyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-(2-methylsulfonylethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 158109280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).