4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one

C49H54N8O6 — CID 159998173

IUPAC4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ccc(O)cn4)CC3=O)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ccc(OCc5ccccc5)cn4)CC3=O)C2=O)cc1
InChIInChI=1S/C28H30N4O3.C21H24N4O3/c1-21-7-9-22(10-8-21)18-31-14-13-25(28(31)34)32-16-15-30(19-27(32)33)26-12-11-24(17-29-26)35-20-23-5-3-2-4-6-23;1-15-2-4-16(5-3-15)13-24-9-8-18(21(24)28)25-11-10-23(14-20(25)27)19-7-6-17(26)12-22-19/h2-12,17,25H,13-16,18-20H2,1H3;2-7,12,18,26H,8-11,13-14H2,1H3/t25-;18-/m11/s1
InChIKeyOHUSZBRWOIXZTL-OFEDDJSKSA-N
MW851.02 g/mol
LogP4.96
Rot. Bonds11

About 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one

4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one (PubChem CID 159998173) has the molecular formula C49H54N8O6 and a molecular weight of 851.02 g/mol. Its IUPAC name is 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one
PubChem CID159998173
Molecular FormulaC49H54N8O6
Molecular Weight851.02 g/mol
Exact Mass850.42
IUPAC Name4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ccc(O)cn4)CC3=O)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ccc(OCc5ccccc5)cn4)CC3=O)C2=O)cc1
InChIInChI=1S/C28H30N4O3.C21H24N4O3/c1-21-7-9-22(10-8-21)18-31-14-13-25(28(31)34)32-16-15-30(19-27(32)33)26-12-11-24(17-29-26)35-20-23-5-3-2-4-6-23;1-15-2-4-16(5-3-15)13-24-9-8-18(21(24)28)25-11-10-23(14-20(25)27)19-7-6-17(26)12-22-19/h2-12,17,25H,13-16,18-20H2,1H3;2-7,12,18,26H,8-11,13-14H2,1H3/t25-;18-/m11/s1
InChIKeyOHUSZBRWOIXZTL-OFEDDJSKSA-N
XLogP4.96
TPSA142.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500851.02
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one with MolForge

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Related Compounds

1-[4-(Difluoromethoxy)-3-[(6-piperazin-1-yl-3-pyridinyl)oxymethyl]phenyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
CID 129055608
(3R)-3-[(1S,4S)-5-(5-butoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-2-one
CID 129055723
(3R)-1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
CID 129055765
1-[(4-fluorophenyl)methyl]-3-[(1S,4S)-5-(5-phenylmethoxy-2-pyridinyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrrolidin-2-one
CID 139298932
3-[[2-(4-Methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-propan-2-yloxyphenyl)pyrrolidin-2-one;3-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]oxy]-1-(4-pyridin-4-ylphenyl)pyrrolidin-2-one
CID 69572988
(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129030897
3-[4-(3-Methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129030899
1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one
CID 129030965
3-[2,2-Dimethyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129030980
(3R)-3-[2,2-dimethyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129031026
(3R)-1-[(4-methylphenyl)methyl]-3-[4-(5-phenylmethoxy-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 129031033
1-[(4-Methylphenyl)methyl]-3-[4-(5-phenylmethoxy-2-pyridinyl)-1,4-diazepan-1-yl]pyrrolidin-2-one
CID 129031035

Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one (CID 159998173) is 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one is Cc1ccc(CN2CC[C@@H](N3CCN(c4ccc(O)cn4)CC3=O)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ccc(OCc5ccccc5)cn4)CC3=O)C2=O)cc1.
What is the InChIKey of 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one?
The InChIKey is OHUSZBRWOIXZTL-OFEDDJSKSA-N. The full InChI is InChI=1S/C28H30N4O3.C21H24N4O3/c1-21-7-9-22(10-8-21)18-31-14-13-25(28(31)34)32-16-15-30(19-27(32)33)26-12-11-24(17-29-26)35-20-23-5-3-2-4-6-23;1-15-2-4-16(5-3-15)13-24-9-8-18(21(24)28)25-11-10-23(14-20(25)27)19-7-6-17(26)12-22-19/h2-12,17,25H,13-16,18-20H2,1H3;2-7,12,18,26H,8-11,13-14H2,1H3/t25-;18-/m11/s1.
What are the key properties of 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one?
4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one has a molecular weight of 851.02 g/mol, XLogP of 4.96, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-pyridinyl)-1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]piperazin-2-one;1-[(3R)-1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(5-phenylmethoxy-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 159998173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).