(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone

C23H30N2O5 — CID 55544123

IUPAC(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-17-6-4-5-7-20(17)30-16-19(26)15-24-10-12-25(13-11-24)23(27)18-8-9-21(28-2)22(14-18)29-3/h4-9,14,19,26H,10-13,15-16H2,1-3H3
InChIKeyGGCUWVUBPKXMQW-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.21
Rot. Bonds8

About (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone

(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone (PubChem CID 55544123) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone
PubChem CID55544123
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C23H30N2O5/c1-17-6-4-5-7-20(17)30-16-19(26)15-24-10-12-25(13-11-24)23(27)18-8-9-21(28-2)22(14-18)29-3/h4-9,14,19,26H,10-13,15-16H2,1-3H3
InChIKeyGGCUWVUBPKXMQW-UHFFFAOYSA-N
XLogP2.21
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 1259558
1-[4-[(2S)-3-[4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 51623805
[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3671492
1-[4-[3-[4-(2,6-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 3154143
[4-[(2R)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1119141
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
1-[4-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 2147514
2-(3,4-dimethoxyphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 70044151
1-(2,6-dimethylphenyl)-3-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]propan-2-one
CID 58160655
1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 991632
[4-[3-(2-chlorophenoxy)-2-hydroxypropyl]piperazin-1-yl]-phenylmethanone
CID 3144428

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone (CID 55544123) is (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone is COc1ccc(C(=O)N2CCN(CC(O)COc3ccccc3C)CC2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is GGCUWVUBPKXMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-17-6-4-5-7-20(17)30-16-19(26)15-24-10-12-25(13-11-24)23(27)18-8-9-21(28-2)22(14-18)29-3/h4-9,14,19,26H,10-13,15-16H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 414.50 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55544123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).