3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione

C15H18N2O3 — CID 64879252

IUPAC3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1cccc(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-4-2-3-10(7-12)8-17-9-13(18)16-14(15(17)19)11-5-6-11/h2-4,7,11,14H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyFCBOIAUTAVBHNY-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.93
Rot. Bonds4

About 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione

3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione (PubChem CID 64879252) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
PubChem CID64879252
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione
SMILESCOc1cccc(CN2CC(=O)NC(C3CC3)C2=O)c1
InChIInChI=1S/C15H18N2O3/c1-20-12-4-2-3-10(7-12)8-17-9-13(18)16-14(15(17)19)11-5-6-11/h2-4,7,11,14H,5-6,8-9H2,1H3,(H,16,18)
InChIKeyFCBOIAUTAVBHNY-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-3-cyclopropylpiperazine-2,5-dione
CID 65331613
3-cyclopropyl-1-[(2-methoxy-4-pyridinyl)methyl]piperazine-2,5-dione
CID 64970023
6-[(3-methoxyphenyl)methyl]-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195894
3-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64879445
1-[(3-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpiperidin-2-one
CID 71687072
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642
4-[(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carbonyl]-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 133119416
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
3-cyclopropyl-1-(pyridazin-3-ylmethyl)piperazine-2,5-dione
CID 106897976
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
6-[(3-methoxyphenyl)methyl]-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 46275087

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione (CID 64879252) is 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione is COc1cccc(CN2CC(=O)NC(C3CC3)C2=O)c1.
What is the InChIKey of 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
The InChIKey is FCBOIAUTAVBHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-12-4-2-3-10(7-12)8-17-9-13(18)16-14(15(17)19)11-5-6-11/h2-4,7,11,14H,5-6,8-9H2,1H3,(H,16,18).
What are the key properties of 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione?
3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione has a molecular weight of 274.32 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[(3-methoxyphenyl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64879252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).