(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C18H20N2O4 — CID 113199237

IUPAC(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C18H20N2O4/c1-24-17-5-3-2-4-14(17)19-8-10-20(11-9-19)18(23)13-6-7-15(21)16(22)12-13/h2-7,12,21-22H,8-11H2,1H3
InChIKeyYCXBSENTMPPWKK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.07
Rot. Bonds3

About (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 113199237) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID113199237
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(O)c(O)c2)CC1
InChIInChI=1S/C18H20N2O4/c1-24-17-5-3-2-4-14(17)19-8-10-20(11-9-19)18(23)13-6-7-15(21)16(22)12-13/h2-7,12,21-22H,8-11H2,1H3
InChIKeyYCXBSENTMPPWKK-UHFFFAOYSA-N
XLogP2.07
TPSA73.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
[4-(2-methoxyphenyl)piperazin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 26534443
[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5-nitrophenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5187660
1-[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9335620
[4-(2-methoxyphenyl)piperazin-1-yl]-[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methanone
CID 110839312
(4-butoxy-3-ethoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 112759903
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzamide
CID 109043513
2-[4-(2-hydroxy-6-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 126828908
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 2994482

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 113199237) is (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(O)c(O)c2)CC1.
What is the InChIKey of (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YCXBSENTMPPWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-24-17-5-3-2-4-14(17)19-8-10-20(11-9-19)18(23)13-6-7-15(21)16(22)12-13/h2-7,12,21-22H,8-11H2,1H3.
What are the key properties of (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 328.37 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 113199237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).