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

C51H62N8O4 — CID 159581333

IUPAC(3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ncc(O)cc4C)CC3)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C29H34N4O2.C22H28N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25;1-16-3-5-18(6-4-16)15-26-8-7-20(22(26)28)24-9-11-25(12-10-24)21-17(2)13-19(27)14-23-21/h3-11,18-19,27H,12-17,20-21H2,1-2H3;3-6,13-14,20,27H,7-12,15H2,1-2H3/t27-;20-/m11/s1
InChIKeyMJBCZTZXDWOAKP-SLNUQKARSA-N
MW851.11 g/mol
LogP6.53
Rot. Bonds11

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

(3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 159581333) has the molecular formula C51H62N8O4 and a molecular weight of 851.11 g/mol. Its IUPAC name is (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID159581333
Molecular FormulaC51H62N8O4
Molecular Weight851.11 g/mol
Exact Mass850.49
IUPAC Name(3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CN2CC[C@@H](N3CCN(c4ncc(O)cc4C)CC3)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1
InChIInChI=1S/C29H34N4O2.C22H28N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25;1-16-3-5-18(6-4-16)15-26-8-7-20(22(26)28)24-9-11-25(12-10-24)21-17(2)13-19(27)14-23-21/h3-11,18-19,27H,12-17,20-21H2,1-2H3;3-6,13-14,20,27H,7-12,15H2,1-2H3/t27-;20-/m11/s1
InChIKeyMJBCZTZXDWOAKP-SLNUQKARSA-N
XLogP6.53
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.11
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Launch Full Analysis

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)-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
3-[2-Methyl-4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 129031052

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one (CID 159581333) is (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CN2CC[C@@H](N3CCN(c4ncc(O)cc4C)CC3)C2=O)cc1.Cc1ccc(CN2CC[C@@H](N3CCN(c4ncc(OCc5ccccc5)cc4C)CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is MJBCZTZXDWOAKP-SLNUQKARSA-N. The full InChI is InChI=1S/C29H34N4O2.C22H28N4O2/c1-22-8-10-24(11-9-22)20-33-13-12-27(29(33)34)31-14-16-32(17-15-31)28-23(2)18-26(19-30-28)35-21-25-6-4-3-5-7-25;1-16-3-5-18(6-4-16)15-26-8-7-20(22(26)28)24-9-11-25(12-10-24)21-17(2)13-19(27)14-23-21/h3-11,18-19,27H,12-17,20-21H2,1-2H3;3-6,13-14,20,27H,7-12,15H2,1-2H3/t27-;20-/m11/s1.
What are the key properties of (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one?
(3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 851.11 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(5-hydroxy-3-methyl-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;(3R)-3-[4-(3-methyl-5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 159581333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).