3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C82H106N18O5 — CID 158002467

IUPAC3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)CC1.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33)
InChIKeyFDWYMOBAIRKEQJ-UHFFFAOYSA-N
MW1423.87 g/mol
LogP10.86
Rot. Bonds12

About 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 158002467) has the molecular formula C82H106N18O5 and a molecular weight of 1423.87 g/mol. Its IUPAC name is 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID158002467
Molecular FormulaC82H106N18O5
Molecular Weight1423.87 g/mol
Exact Mass1422.86
IUPAC Name3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)CC1.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33)
InChIKeyFDWYMOBAIRKEQJ-UHFFFAOYSA-N
XLogP10.86
TPSA218.29 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.87
LogP ≤ 510.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 158002467) is 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CC(=O)N1CCN(c2cc(C)c(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1.CC(=O)N1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)c(C)n2)CC1.Cc1cc(-c2ccncc2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is FDWYMOBAIRKEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N6O2.C27H37N7O2.C27H31N5O/c1-21-18-25(33-16-14-32(15-17-33)22(2)35)29-19-24(21)34-20-27(30-26(34)36)10-12-28(13-11-27,31(3)4)23-8-6-5-7-9-23;1-20-23(18-28-24(29-20)33-16-14-32(15-17-33)21(2)35)34-19-26(30-25(34)36)10-12-27(13-11-26,31(3)4)22-8-6-5-7-9-22;1-20-17-23(21-9-15-28-16-10-21)29-18-24(20)32-19-26(30-25(32)33)11-13-27(14-12-26,31(2)3)22-7-5-4-6-8-22/h5-9,18-19H,10-17,20H2,1-4H3,(H,30,36);5-9,18H,10-17,19H2,1-4H3,(H,30,36);4-10,15-18H,11-14,19H2,1-3H3,(H,30,33).
What are the key properties of 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1423.87 g/mol, XLogP of 10.86, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-acetylpiperazin-1-yl)-4-methyl-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-acetylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-4-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 158002467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).