1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione

C14H18N2O3 — CID 117410325

IUPAC1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2cccc(CCCO)c2)CC1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-14(19)16(10-13(15)18)12-6-2-4-11(8-12)5-3-7-17/h2,4,6,8,17H,3,5,7,9-10H2,1H3
InChIKeyJEZBJIDVTOGQNX-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.42
Rot. Bonds4

About 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione

1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117410325) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117410325
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2cccc(CCCO)c2)CC1=O
InChIInChI=1S/C14H18N2O3/c1-15-9-14(19)16(10-13(15)18)12-6-2-4-11(8-12)5-3-7-17/h2,4,6,8,17H,3,5,7,9-10H2,1H3
InChIKeyJEZBJIDVTOGQNX-UHFFFAOYSA-N
XLogP0.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione (CID 117410325) is 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2cccc(CCCO)c2)CC1=O.
What is the InChIKey of 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is JEZBJIDVTOGQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15-9-14(19)16(10-13(15)18)12-6-2-4-11(8-12)5-3-7-17/h2,4,6,8,17H,3,5,7,9-10H2,1H3.
What are the key properties of 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione?
1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117410325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).