1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione

C22H26N2O3 — CID 134833560

IUPAC1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(CC(C)C)NC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)13-19-22(26)24(14-16-9-11-18(27-3)12-10-16)20(21(25)23-19)17-7-5-4-6-8-17/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25)
InChIKeyLARLEJCBKMHGML-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.31
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione

1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione (PubChem CID 134833560) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
PubChem CID134833560
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione
SMILESCOc1ccc(CN2C(=O)C(CC(C)C)NC(=O)C2c2ccccc2)cc1
InChIInChI=1S/C22H26N2O3/c1-15(2)13-19-22(26)24(14-16-9-11-18(27-3)12-10-16)20(21(25)23-19)17-7-5-4-6-8-17/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25)
InChIKeyLARLEJCBKMHGML-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(3R,3aS,7aS)-1-[(4-methoxyphenyl)methyl]-3-phenyl-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 10664533
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(2-methylpropanoyl)-2-phenyl-2H-pyrrol-5-one
CID 108599325
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
1-benzyl-4-hydroxy-2-(4-methoxyphenyl)-3-(3-methylbutanoyl)-2H-pyrrol-5-one
CID 4278622
3-ethyl-2-(4-methoxyphenyl)-5-(2-methylpropyl)imidazolidin-4-one
CID 83239781
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
(2S)-2-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-1,2-dihydroquinazolin-4-one
CID 41064218
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
3-benzyl-2-methylidene-5-(2-methylpropyl)imidazolidin-4-one
CID 142133732
(3R)-1-benzyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 102440944
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione (CID 134833560) is 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione is COc1ccc(CN2C(=O)C(CC(C)C)NC(=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
The InChIKey is LARLEJCBKMHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15(2)13-19-22(26)24(14-16-9-11-18(27-3)12-10-16)20(21(25)23-19)17-7-5-4-6-8-17/h4-12,15,19-20H,13-14H2,1-3H3,(H,23,25).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione?
1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione has a molecular weight of 366.46 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-(2-methylpropyl)-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 134833560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).