3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one

C25H26N2O5 — CID 4739811

IUPAC3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCN(C(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N2O5/c28-20-7-4-8-21(17-20)31-16-11-24(29)26-12-14-27(15-13-26)25(30)18-32-23-10-3-6-19-5-1-2-9-22(19)23/h1-10,17,28H,11-16,18H2
InChIKeyMSLKTXKZGPCVBA-UHFFFAOYSA-N
MW434.49 g/mol
LogP3.06
Rot. Bonds7

About 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one

3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one (PubChem CID 4739811) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
PubChem CID4739811
Molecular FormulaC25H26N2O5
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOc1cccc(O)c1)N1CCN(C(=O)COc2cccc3ccccc23)CC1
InChIInChI=1S/C25H26N2O5/c28-20-7-4-8-21(17-20)31-16-11-24(29)26-12-14-27(15-13-26)25(30)18-32-23-10-3-6-19-5-1-2-9-22(19)23/h1-10,17,28H,11-16,18H2
InChIKeyMSLKTXKZGPCVBA-UHFFFAOYSA-N
XLogP3.06
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
CID 4740302
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4741575
3-(3-hydroxyphenoxy)-1-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 4741215
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
1-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 4739992
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(3-hydroxyphenoxy)propan-1-one
CID 4739871
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-naphthalen-1-yloxyethanone
CID 112823841

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one (CID 4739811) is 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one is O=C(CCOc1cccc(O)c1)N1CCN(C(=O)COc2cccc3ccccc23)CC1.
What is the InChIKey of 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is MSLKTXKZGPCVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c28-20-7-4-8-21(17-20)31-16-11-24(29)26-12-14-27(15-13-26)25(30)18-32-23-10-3-6-19-5-1-2-9-22(19)23/h1-10,17,28H,11-16,18H2.
What are the key properties of 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one?
3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 434.49 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenoxy)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 4739811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).