1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

C156H225N27O13S2 — CID 161422645

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161422645) has the molecular formula C156H225N27O13S2 and a molecular weight of 2750.83 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 161422645
• Molecular Formula: C156H225N27O13S2
• Molecular Weight: 2750.83 g/mol
• Exact Mass: 2748.72
• IUPAC Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CC(=O)CC1(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CC3)C2=O)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3cncnc3)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)COC1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CCS(C)(=O)=O
• InChI: InChI=1S/C30H42N6O.C27H39N3O2.C26H36N6O.C26H39N3O3.C25H34N6O.C22H35N3O5S2/c1-33(2)30(26-6-4-3-5-7-26)14-12-29(13-15-30)22-35(28(37)36(29)21-24-8-9-24)20-25-10-16-34(17-11-25)27-18-31-23-32-19-27;1-21(31)17-25(11-12-25)19-29-20-26(30(24(29)32)18-22-9-10-22)13-15-27(16-14-26,28(2)3)23-7-5-4-6-8-23;1-30(2)26(22-6-4-3-5-7-22)12-10-25(11-13-26)19-32(24(33)29-25)18-21-8-14-31(15-9-21)23-16-27-20-28-17-23;1-27(2)26(22-9-4-3-5-10-22)13-11-24(12-14-26)18-28(16-15-25(31)19-32-20-25)23(30)29(24)17-21-7-6-8-21;1-29(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)18-31(23(32)28-24)21-8-14-30(15-9-21)22-16-26-19-27-17-22;1-23(2)22(19-8-6-5-7-9-19)12-10-21(11-13-22)18-24(14-16-31(3,27)28)20(26)25(21)15-17-32(4,29)30/h3-7,18-19,23-25H,8-17,20-22H2,1-2H3;4-8,22H,9-20H2,1-3H3;3-7,16-17,20-21H,8-15,18-19H2,1-2H3,(H,29,33);3-5,9-10,21,31H,6-8,11-20H2,1-2H3;3-7,16-17,19,21H,8-15,18H2,1-2H3,(H,28,32);5-9H,10-18H2,1-4H3
• InChIKey: VWYBZVMFLCMKCS-UHFFFAOYSA-N
• XLogP: 21.03
• TPSA: 380.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 39
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2750.83
LogP ≤ 5	21.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one (CID 161422645) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is CC(=O)CC1(CN2CC3(CCC(c4ccccc4)(N(C)C)CC3)N(CC3CC3)C2=O)CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(C1CCN(c3cncnc3)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CC1CCN(c3cncnc3)CC1)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCC1(O)COC1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(CCS(C)(=O)=O)C(=O)N2CCS(C)(=O)=O.

What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is VWYBZVMFLCMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N6O.C27H39N3O2.C26H36N6O.C26H39N3O3.C25H34N6O.C22H35N3O5S2/c1-33(2)30(26-6-4-3-5-7-26)14-12-29(13-15-30)22-35(28(37)36(29)21-24-8-9-24)20-25-10-16-34(17-11-25)27-18-31-23-32-19-27;1-21(31)17-25(11-12-25)19-29-20-26(30(24(29)32)18-22-9-10-22)13-15-27(16-14-26,28(2)3)23-7-5-4-6-8-23;1-30(2)26(22-6-4-3-5-7-22)12-10-25(11-13-26)19-32(24(33)29-25)18-21-8-14-31(15-9-21)23-16-27-20-28-17-23;1-27(2)26(22-9-4-3-5-10-22)13-11-24(12-14-26)18-28(16-15-25(31)19-32-20-25)23(30)29(24)17-21-7-6-8-21;1-29(2)25(20-6-4-3-5-7-20)12-10-24(11-13-25)18-31(23(32)28-24)21-8-14-30(15-9-21)22-16-26-19-27-17-22;1-23(2)22(19-8-6-5-7-9-19)12-10-21(11-13-22)18-24(14-16-31(3,27)28)20(26)25(21)15-17-32(4,29)30/h3-7,18-19,23-25H,8-17,20-22H2,1-2H3;4-8,22H,9-20H2,1-3H3;3-7,16-17,20-21H,8-15,18-19H2,1-2H3,(H,29,33);3-5,9-10,21,31H,6-8,11-20H2,1-2H3;3-7,16-17,19,21H,8-15,18H2,1-2H3,(H,28,32);5-9H,10-18H2,1-4H3.

What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one?

1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 2750.83 g/mol, XLogP of 21.03, 39 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3-[2-(3-hydroxyoxetan-3-yl)ethyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-3-[[1-(2-oxopropyl)cyclopropyl]methyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;1-(cyclopropylmethyl)-8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1,3-bis(2-methylsulfonylethyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1-pyrimidin-5-ylpiperidin-4-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[(1-pyrimidin-5-ylpiperidin-4-yl)methyl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161422645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).