[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone

C23H24N2O3 — CID 35514407

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C23H24N2O3/c1-2-28-22-10-6-5-9-20(22)24-11-13-25(14-12-24)23(27)19-15-17-7-3-4-8-18(17)16-21(19)26/h3-10,15-16,26H,2,11-14H2,1H3
InChIKeyNREKAYBDJQBRMF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.91
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone (PubChem CID 35514407) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
PubChem CID35514407
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1
InChIInChI=1S/C23H24N2O3/c1-2-28-22-10-6-5-9-20(22)24-11-13-25(14-12-24)23(27)19-15-17-7-3-4-8-18(17)16-21(19)26/h3-10,15-16,26H,2,11-14H2,1H3
InChIKeyNREKAYBDJQBRMF-UHFFFAOYSA-N
XLogP3.91
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-2-hydroxyphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 31619065
N-[3-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 24663377
(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
[4-(2-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 27535905
(3-ethoxynaphthalen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17458593
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 134062153
(2-chloro-5-methylsulfonylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415357
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 9415526

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone (CID 35514407) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2cc3ccccc3cc2O)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
The InChIKey is NREKAYBDJQBRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-2-28-22-10-6-5-9-20(22)24-11-13-25(14-12-24)23(27)19-15-17-7-3-4-8-18(17)16-21(19)26/h3-10,15-16,26H,2,11-14H2,1H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone is sourced from PubChem (CID 35514407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).