3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C116H162N16O10S — CID 160943228

About 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160943228) has the molecular formula C116H162N16O10S and a molecular weight of 1972.74 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 160943228
• Molecular Formula: C116H162N16O10S
• Molecular Weight: 1972.74 g/mol
• Exact Mass: 1971.24
• IUPAC Name: 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CC(=O)N1CCC(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CC3)C2=O)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(C(=O)c3ccccc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(C(=O)c3ccncc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1
• InChI: InChI=1S/C32H42N4O2.C31H41N5O2.C27H40N4O2.C26H39N3O4S/c1-33(2)32(27-11-7-4-8-12-27)19-17-31(18-20-32)24-35(30(38)36(31)23-25-13-14-25)28-15-21-34(22-16-28)29(37)26-9-5-3-6-10-26;1-33(2)31(26-6-4-3-5-7-26)16-14-30(15-17-31)23-35(29(38)36(30)22-24-8-9-24)27-12-20-34(21-13-27)28(37)25-10-18-32-19-11-25;1-21(32)29-17-11-24(12-18-29)30-20-26(31(25(30)33)19-22-9-10-22)13-15-27(16-14-26,28(2)3)23-7-5-4-6-8-23;1-27(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-28(22-9-17-34(32,33)18-10-22)23(30)29(24)20-25(31)11-6-12-25/h3-12,25,28H,13-24H2,1-2H3;3-7,10-11,18-19,24,27H,8-9,12-17,20-23H2,1-2H3;4-8,22,24H,9-20H2,1-3H3;3-5,7-8,22,31H,6,9-20H2,1-2H3
• InChIKey: SUTZJXWYEUOBQR-UHFFFAOYSA-N
• XLogP: 16.71
• TPSA: 235.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.74
LogP ≤ 5	16.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 160943228) is 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC(=O)N1CCC(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CC3)C2=O)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(C(=O)c3ccccc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(C(=O)c3ccncc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCS(=O)(=O)CC1)C(=O)N2CC1(O)CCC1.

What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is SUTZJXWYEUOBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2.C31H41N5O2.C27H40N4O2.C26H39N3O4S/c1-33(2)32(27-11-7-4-8-12-27)19-17-31(18-20-32)24-35(30(38)36(31)23-25-13-14-25)28-15-21-34(22-16-28)29(37)26-9-5-3-6-10-26;1-33(2)31(26-6-4-3-5-7-26)16-14-30(15-17-31)23-35(29(38)36(30)22-24-8-9-24)27-12-20-34(21-13-27)28(37)25-10-18-32-19-11-25;1-21(32)29-17-11-24(12-18-29)30-20-26(31(25(30)33)19-22-9-10-22)13-15-27(16-14-26,28(2)3)23-7-5-4-6-8-23;1-27(2)26(21-7-4-3-5-8-21)15-13-24(14-16-26)19-28(22-9-17-34(32,33)18-10-22)23(30)29(24)20-25(31)11-6-12-25/h3-12,25,28H,13-24H2,1-2H3;3-7,10-11,18-19,24,27H,8-9,12-17,20-23H2,1-2H3;4-8,22,24H,9-20H2,1-3H3;3-5,7-8,22,31H,6,9-20H2,1-2H3.

What are the key properties of 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1972.74 g/mol, XLogP of 16.71, 22 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-(1-benzoylpiperidin-4-yl)-1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[1-(pyridine-4-carbonyl)piperidin-4-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1,1-dioxothian-4-yl)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160943228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).