1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C18H23N3O5 — CID 55470896

IUPAC1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H23N3O5/c1-13-2-3-15(22)14(12-13)16(23)19-4-6-20(7-5-19)17(24)18(25)21-8-10-26-11-9-21/h2-3,12,22H,4-11H2,1H3
InChIKeyIEQOJVCJIKIFPQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP-0.16
Rot. Bonds1

About 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55470896) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55470896
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C18H23N3O5/c1-13-2-3-15(22)14(12-13)16(23)19-4-6-20(7-5-19)17(24)18(25)21-8-10-26-11-9-21/h2-3,12,22H,4-11H2,1H3
InChIKeyIEQOJVCJIKIFPQ-UHFFFAOYSA-N
XLogP-0.16
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 46548530
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(2,5-dihydroxyphenyl)-(1,4-oxazepan-4-yl)methanone
CID 107722952
(2-hydroxy-5-methylphenyl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 60706667
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
2-hydroxy-5-(morpholine-4-carbonyl)benzoic acid
CID 123499675
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 8924723

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55470896) is 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is Cc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is IEQOJVCJIKIFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-13-2-3-15(22)14(12-13)16(23)19-4-6-20(7-5-19)17(24)18(25)21-8-10-26-11-9-21/h2-3,12,22H,4-11H2,1H3.
What are the key properties of 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 361.40 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55470896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).