2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid

C23H22N2O4 — CID 22399413

IUPAC2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H22N2O4/c26-22(27)16-29-19-8-4-7-18(15-19)24-11-13-25(14-12-24)23(28)21-10-3-6-17-5-1-2-9-20(17)21/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyLJQOKRABGXGYLS-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.27
Rot. Bonds5

About 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid

2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid (PubChem CID 22399413) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
PubChem CID22399413
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C23H22N2O4/c26-22(27)16-29-19-8-4-7-18(15-19)24-11-13-25(14-12-24)23(28)21-10-3-6-17-5-1-2-9-20(17)21/h1-10,15H,11-14,16H2,(H,26,27)
InChIKeyLJQOKRABGXGYLS-UHFFFAOYSA-N
XLogP3.27
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 108547203
2-[3-[1-(naphthalene-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenoxy]acetic acid
CID 22399205
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
3-[3-(4-benzoylpiperazin-1-yl)phenoxy]propanoic acid
CID 22399263
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
2-(4-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 1074741
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108535664
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
2-[3-[4-(quinoline-4-carbonyl)piperazin-1-yl]phenyl]acetic acid
CID 22399354
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid (CID 22399413) is 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid is O=C(O)COc1cccc(N2CCN(C(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid?
The InChIKey is LJQOKRABGXGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c26-22(27)16-29-19-8-4-7-18(15-19)24-11-13-25(14-12-24)23(28)21-10-3-6-17-5-1-2-9-20(17)21/h1-10,15H,11-14,16H2,(H,26,27).
What are the key properties of 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid?
2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid has a molecular weight of 390.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]phenoxy]acetic acid is sourced from PubChem (CID 22399413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).