3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C20H28N4O4 — CID 18089201

IUPAC3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(C(=O)CN3C(=O)NC(CC(C)C)C3=O)CC2)cc1
InChIInChI=1S/C20H28N4O4/c1-14(2)12-17-19(26)24(20(27)21-17)13-18(25)23-10-8-22(9-11-23)15-4-6-16(28-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,27)
InChIKeyFVRCLTLUVYNBGC-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.31
Rot. Bonds6

About 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 18089201) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID18089201
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCOc1ccc(N2CCN(C(=O)CN3C(=O)NC(CC(C)C)C3=O)CC2)cc1
InChIInChI=1S/C20H28N4O4/c1-14(2)12-17-19(26)24(20(27)21-17)13-18(25)23-10-8-22(9-11-23)15-4-6-16(28-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,27)
InChIKeyFVRCLTLUVYNBGC-UHFFFAOYSA-N
XLogP1.31
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2090798
2-cyclopropyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 110416964
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 6985939
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 24702790
2-methoxy-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 60637810
2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995439
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]piperazine-1-carbaldehyde
CID 108995948
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51226334
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 8012085
2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;hydrochloride
CID 43810420
2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione
CID 9272079
(3R)-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7677868

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 18089201) is 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is COc1ccc(N2CCN(C(=O)CN3C(=O)NC(CC(C)C)C3=O)CC2)cc1.
What is the InChIKey of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is FVRCLTLUVYNBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-14(2)12-17-19(26)24(20(27)21-17)13-18(25)23-10-8-22(9-11-23)15-4-6-16(28-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,21,27).
What are the key properties of 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 18089201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).