3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione

C19H26N4O4 — CID 120735391

IUPAC3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C19H26N4O4/c1-21-13-18(25)23(19(21)26)10-5-8-17(24)22-11-9-20-12-15(22)14-6-3-4-7-16(14)27-2/h3-4,6-7,15,20H,5,8-13H2,1-2H3
InChIKeyRBCXYCZBZRUOMQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.84
Rot. Bonds6

About 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione

3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione (PubChem CID 120735391) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
PubChem CID120735391
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1C1CNCCN1C(=O)CCCN1C(=O)CN(C)C1=O
InChIInChI=1S/C19H26N4O4/c1-21-13-18(25)23(19(21)26)10-5-8-17(24)22-11-9-20-12-15(22)14-6-3-4-7-16(14)27-2/h3-4,6-7,15,20H,5,8-13H2,1-2H3
InChIKeyRBCXYCZBZRUOMQ-UHFFFAOYSA-N
XLogP0.84
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione;hydrochloride
CID 120733120
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120734946
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 120734991
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 120733310
2-(2,3-dihydro-1H-inden-5-yl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120734383
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one;hydrochloride
CID 120733635
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione (CID 120735391) is 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione is COc1ccccc1C1CNCCN1C(=O)CCCN1C(=O)CN(C)C1=O.
What is the InChIKey of 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is RBCXYCZBZRUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21-13-18(25)23(19(21)26)10-5-8-17(24)22-11-9-20-12-15(22)14-6-3-4-7-16(14)27-2/h3-4,6-7,15,20H,5,8-13H2,1-2H3.
What are the key properties of 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione?
3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-methoxyphenyl)piperazin-1-yl]-4-oxobutyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 120735391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).