1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione

C15H18N2O3 — CID 146074768

IUPAC1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
SMILESCOc1ccccc1N1CCN(CC2CC2)C(=O)C1=O
InChIInChI=1S/C15H18N2O3/c1-20-13-5-3-2-4-12(13)17-9-8-16(10-11-6-7-11)14(18)15(17)19/h2-5,11H,6-10H2,1H3
InChIKeyYJQULHMBBVXLDS-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.28
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione (PubChem CID 146074768) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
PubChem CID146074768
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione
SMILESCOc1ccccc1N1CCN(CC2CC2)C(=O)C1=O
InChIInChI=1S/C15H18N2O3/c1-20-13-5-3-2-4-12(13)17-9-8-16(10-11-6-7-11)14(18)15(17)19/h2-5,11H,6-10H2,1H3
InChIKeyYJQULHMBBVXLDS-UHFFFAOYSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-4-prop-2-ynylpiperazine-2,3-dione
CID 146074791
1-(cyclopropylmethyl)-3-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 43655762
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(2-methoxyphenyl)-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-2,3-dione
CID 167998101
1-(2-methoxyphenyl)-5-methylpiperazine-2,3-dione
CID 122715416
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
4-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-(2-methoxyphenyl)piperazin-2-one
CID 126434003
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 120563800
(3R)-1-(2-methoxyphenyl)-3-methyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazin-2-one
CID 92626691
(3S)-1-(2-methoxyphenyl)-3-propanoylpiperidin-2-one
CID 125450904
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
4-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563799

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione (CID 146074768) is 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione is COc1ccccc1N1CCN(CC2CC2)C(=O)C1=O.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione?
The InChIKey is YJQULHMBBVXLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-20-13-5-3-2-4-12(13)17-9-8-16(10-11-6-7-11)14(18)15(17)19/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione?
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine-2,3-dione is sourced from PubChem (CID 146074768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).