(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one

C21H26N2O4 — CID 96576993

IUPAC(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(N2C[C@@H](C)N(Cc3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-15-12-23(17-6-9-18(25-2)10-7-17)21(24)14-22(15)13-16-5-8-19(26-3)11-20(16)27-4/h5-11,15H,12-14H2,1-4H3/t15-/m1/s1
InChIKeyDROHQJJMMZDDFA-OAHLLOKOSA-N
MW370.45 g/mol
LogP2.95
Rot. Bonds6

About (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one

(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one (PubChem CID 96576993) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one.

Molecular Properties

Compound Name(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
PubChem CID96576993
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one
SMILESCOc1ccc(N2C[C@@H](C)N(Cc3ccc(OC)cc3OC)CC2=O)cc1
InChIInChI=1S/C21H26N2O4/c1-15-12-23(17-6-9-18(25-2)10-7-17)21(24)14-22(15)13-16-5-8-19(26-3)11-20(16)27-4/h5-11,15H,12-14H2,1-4H3/t15-/m1/s1
InChIKeyDROHQJJMMZDDFA-OAHLLOKOSA-N
XLogP2.95
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-4-[(2,6-dimethoxyphenyl)methyl]-5-methyl-1-(4-methylphenyl)piperazin-2-one
CID 96578307
1-[(2,4-dimethoxyphenyl)methyl]-4-methylazetidin-2-one
CID 154478411
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
(4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-3,4-dihydropyridin-2-one
CID 102049603
2-chloro-6-[(2,4-dimethoxyphenyl)methyl]-5-methyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 167430782
(5R)-4-[(4-imidazol-1-ylphenyl)methyl]-1-(3-methoxyphenyl)-5-methylpiperazin-2-one
CID 97110267
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
1-(3-methoxyphenyl)-5-methyl-4-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperazin-2-one
CID 70735507
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521

Frequently Asked Questions

What is the IUPAC name of (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The IUPAC name of (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one (CID 96576993) is (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one.
What is the SMILES notation for (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The canonical SMILES for (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one is COc1ccc(N2C[C@@H](C)N(Cc3ccc(OC)cc3OC)CC2=O)cc1.
What is the InChIKey of (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
The InChIKey is DROHQJJMMZDDFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15-12-23(17-6-9-18(25-2)10-7-17)21(24)14-22(15)13-16-5-8-19(26-3)11-20(16)27-4/h5-11,15H,12-14H2,1-4H3/t15-/m1/s1.
What are the key properties of (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one?
(5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one has a molecular weight of 370.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-[(2,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)-5-methylpiperazin-2-one is sourced from PubChem (CID 96576993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).