1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione

C15H18N2O3 — CID 117438331

IUPAC1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2CC2(O)CC2)CC1=O
InChIInChI=1S/C15H18N2O3/c1-16-9-14(19)17(10-13(16)18)12-5-3-2-4-11(12)8-15(20)6-7-15/h2-5,20H,6-10H2,1H3
InChIKeyKACNDRCADIMWKK-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.56
Rot. Bonds3

About 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione

1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione (PubChem CID 117438331) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
PubChem CID117438331
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(c2ccccc2CC2(O)CC2)CC1=O
InChIInChI=1S/C15H18N2O3/c1-16-9-14(19)17(10-13(16)18)12-5-3-2-4-11(12)8-15(20)6-7-15/h2-5,20H,6-10H2,1H3
InChIKeyKACNDRCADIMWKK-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(triazol-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306787
1-methyl-4-[2-(2-methylpyrrolidin-2-yl)phenyl]piperazine-2,5-dione
CID 117463871
1-[2-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,3-dione
CID 117436099
1-methyl-4-(2-propan-2-yloxyphenyl)piperazine-2,5-dione
CID 117026343
1-[[2-(triazol-1-yl)phenyl]methyl]cyclopropan-1-ol
CID 117306788
1-[2-(3-amino-1,2-oxazol-5-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461656
1-[2-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461674
1-(2-ethylphenyl)-4-methyl-3H-quinoxalin-2-one
CID 117006650
1-[4-[(1-aminocyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione
CID 117436102
1-[(2-aminophenyl)methyl]-4-methylpiperazine-2,5-dione
CID 79936217
1-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79937093
1-butyl-4-methyl-3H-quinoxalin-2-one
CID 117006618

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione (CID 117438331) is 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(c2ccccc2CC2(O)CC2)CC1=O.
What is the InChIKey of 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
The InChIKey is KACNDRCADIMWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-9-14(19)17(10-13(16)18)12-5-3-2-4-11(12)8-15(20)6-7-15/h2-5,20H,6-10H2,1H3.
What are the key properties of 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione?
1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxycyclopropyl)methyl]phenyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 117438331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).