(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C19H22N2O4 — CID 112789681

IUPAC(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(OC)ccc3O)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-15-5-3-4-14(12-15)20-8-10-21(11-9-20)19(23)17-13-16(25-2)6-7-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3
InChIKeyBAQBSXJYVFIDJB-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.37
Rot. Bonds4

About (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 112789681) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID112789681
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3cc(OC)ccc3O)CC2)c1
InChIInChI=1S/C19H22N2O4/c1-24-15-5-3-4-14(12-15)20-8-10-21(11-9-20)19(23)17-13-16(25-2)6-7-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3
InChIKeyBAQBSXJYVFIDJB-UHFFFAOYSA-N
XLogP2.37
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxy-5-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17421447
(2-hydroxy-4-methoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 25398097
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 17173770
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
(5-bromo-2-hydroxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27164936
(3,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-methoxyphenyl)methanone
CID 42940425
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 112789681) is (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3cc(OC)ccc3O)CC2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is BAQBSXJYVFIDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-24-15-5-3-4-14(12-15)20-8-10-21(11-9-20)19(23)17-13-16(25-2)6-7-18(17)22/h3-7,12-13,22H,8-11H2,1-2H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 112789681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).