1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione

C15H20N2O4 — CID 79936035

IUPAC1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCOc1ccc(C(C)O)cc1CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C15H20N2O4/c1-10(18)11-4-5-13(21-3)12(6-11)7-17-9-14(19)16(2)8-15(17)20/h4-6,10,18H,7-9H2,1-3H3
InChIKeyDDZSMMGLCZGHSK-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.55
Rot. Bonds4

About 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione

1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione (PubChem CID 79936035) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
PubChem CID79936035
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
SMILESCOc1ccc(C(C)O)cc1CN1CC(=O)N(C)CC1=O
InChIInChI=1S/C15H20N2O4/c1-10(18)11-4-5-13(21-3)12(6-11)7-17-9-14(19)16(2)8-15(17)20/h4-6,10,18H,7-9H2,1-3H3
InChIKeyDDZSMMGLCZGHSK-UHFFFAOYSA-N
XLogP0.55
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
1-[3-(1,3-dihydroisoindol-2-ylmethyl)-4-methoxyphenyl]ethanol
CID 62229958
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-4-methoxyphenyl]ethanol
CID 65320149
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
CID 62880677
3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836626
2-(2-hydroxyethyl)-9-[(2-methoxy-5-propan-2-ylphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70763802
1-[4-methoxy-3-(3,3,3-trifluoropropyl)phenyl]ethanol
CID 163533268
1-[[2-methoxy-5-[1-(methylamino)ethyl]phenyl]methyl]-3-methylpiperidin-2-one
CID 104680031

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione (CID 79936035) is 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione is COc1ccc(C(C)O)cc1CN1CC(=O)N(C)CC1=O.
What is the InChIKey of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione?
The InChIKey is DDZSMMGLCZGHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(18)11-4-5-13(21-3)12(6-11)7-17-9-14(19)16(2)8-15(17)20/h4-6,10,18H,7-9H2,1-3H3.
What are the key properties of 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione?
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione has a molecular weight of 292.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 79936035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).