1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid

C108H139FN14O14S3 — CID 160521949

About 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid

1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid (PubChem CID 160521949) has the molecular formula C108H139FN14O14S3 and a molecular weight of 1972.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid
• PubChem CID: 160521949
• Molecular Formula: C108H139FN14O14S3
• Molecular Weight: 1972.58 g/mol
• Exact Mass: 1970.97
• IUPAC Name: 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)nc1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CC1.O=CO
• InChI: InChI=1S/C28H36N4O3.C27H34FN3O3S.C26H34N4O3S.C26H33N3O3S.CH2O2/c1-30(2)28(21-9-4-3-5-10-21)17-15-26(16-18-28)19-31(23-12-7-6-11-22(23)24(29)33)25(34)32(26)20-27(35)13-8-14-27;1-29(2)27(21-7-5-4-6-8-21)15-13-26(14-16-27)19-30(25(32)31(26)18-20-9-10-20)24-12-11-22(17-23(24)28)35(3,33)34;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(31)30(25)18-20-9-10-20)22-11-12-23(27-17-22)34(3,32)33;1-27-26(21-6-4-3-5-7-21)16-14-25(15-17-26)19-28(24(30)29(25)18-20-8-9-20)22-10-12-23(13-11-22)33(2,31)32;2-1-3/h3-7,9-12,35H,8,13-20H2,1-2H3,(H2,29,33);4-8,11-12,17,20H,9-10,13-16,18-19H2,1-3H3;4-8,11-12,17,20H,9-10,13-16,18-19H2,1-3H3;3-7,10-13,20,27H,8-9,14-19H2,1-2H3;1H,(H,2,3)
• InChIKey: QUJSWSARBFZNPT-UHFFFAOYSA-N
• XLogP: 16.14
• TPSA: 331.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.58
LogP ≤ 5	16.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid?

The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid (CID 160521949) is 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid.

What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid?

The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)nc1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1C(N)=O)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1)C(=O)N2CC1CC1.O=CO.

What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid?

The InChIKey is QUJSWSARBFZNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3.C27H34FN3O3S.C26H34N4O3S.C26H33N3O3S.CH2O2/c1-30(2)28(21-9-4-3-5-10-21)17-15-26(16-18-28)19-31(23-12-7-6-11-22(23)24(29)33)25(34)32(26)20-27(35)13-8-14-27;1-29(2)27(21-7-5-4-6-8-21)15-13-26(14-16-27)19-30(25(32)31(26)18-20-9-10-20)24-12-11-22(17-23(24)28)35(3,33)34;1-28(2)26(21-7-5-4-6-8-21)15-13-25(14-16-26)19-29(24(31)30(25)18-20-9-10-20)22-11-12-23(27-17-22)34(3,32)33;1-27-26(21-6-4-3-5-7-21)16-14-25(15-17-26)19-28(24(30)29(25)18-20-8-9-20)22-10-12-23(13-11-22)33(2,31)32;2-1-3/h3-7,9-12,35H,8,13-20H2,1-2H3,(H2,29,33);4-8,11-12,17,20H,9-10,13-16,18-19H2,1-3H3;4-8,11-12,17,20H,9-10,13-16,18-19H2,1-3H3;3-7,10-13,20,27H,8-9,14-19H2,1-2H3;1H,(H,2,3).

What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid?

1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid has a molecular weight of 1972.58 g/mol, XLogP of 16.14, 24 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(methylamino)-3-(4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;formic acid is sourced from PubChem (CID 160521949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).