8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride

C57H80ClN13O5 — CID 158620525

About 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 158620525) has the molecular formula C57H80ClN13O5 and a molecular weight of 1062.81 g/mol. Its IUPAC name is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

• Compound Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
• PubChem CID: 158620525
• Molecular Formula: C57H80ClN13O5
• Molecular Weight: 1062.81 g/mol
• Exact Mass: 1061.61
• IUPAC Name: 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2CC1(O)CCC1.Cl
• InChI: InChI=1S/C29H41N7O2.C28H38N6O3.ClH/c1-33(2)29(23-7-4-3-5-8-23)13-11-27(12-14-29)21-35(26(37)36(27)22-28(38)9-6-10-28)24-19-31-25(32-20-24)34-17-15-30-16-18-34;1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-33(25(35)34(26)21-27(36)8-5-9-27)23-18-30-24(31-19-23)32-14-16-37-17-15-32;/h3-5,7-8,19-20,30,38H,6,9-18,21-22H2,1-2H3;2-4,6-7,18-19,29,36H,5,8-17,20-21H2,1H3;1H
• InChIKey: XEXVJMAOKNZAIQ-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 182.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1062.81
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The IUPAC name of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride (CID 158620525) is 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride.

What is the SMILES notation for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The canonical SMILES for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCNCC3)nc1)C(=O)N2CC1(O)CCC1.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2CC1(O)CCC1.Cl.

What is the InChIKey of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

The InChIKey is XEXVJMAOKNZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N7O2.C28H38N6O3.ClH/c1-33(2)29(23-7-4-3-5-8-23)13-11-27(12-14-29)21-35(26(37)36(27)22-28(38)9-6-10-28)24-19-31-25(32-20-24)34-17-15-30-16-18-34;1-29-28(22-6-3-2-4-7-22)12-10-26(11-13-28)20-33(25(35)34(26)21-27(36)8-5-9-27)23-18-30-24(31-19-23)32-14-16-37-17-15-32;/h3-5,7-8,19-20,30,38H,6,9-18,21-22H2,1-2H3;2-4,6-7,18-19,29,36H,5,8-17,20-21H2,1H3;1H.

What are the key properties of 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride?

8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 1062.81 g/mol, XLogP of 6.13, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-8-phenyl-3-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;1-[(1-hydroxycyclobutyl)methyl]-8-(methylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 158620525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).