[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone

C26H24N2O4 — CID 112800527

IUPAC[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C26H24N2O4/c29-22-7-3-6-21(17-22)27-12-14-28(15-13-27)26(30)25-11-10-24(32-25)18-31-23-9-8-19-4-1-2-5-20(19)16-23/h1-11,16-17,29H,12-15,18H2
InChIKeyWHXWKERZEBSVGZ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.68
Rot. Bonds5

About [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone

[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone (PubChem CID 112800527) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
PubChem CID112800527
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C26H24N2O4/c29-22-7-3-6-21(17-22)27-12-14-28(15-13-27)26(30)25-11-10-24(32-25)18-31-23-9-8-19-4-1-2-5-20(19)16-23/h1-11,16-17,29H,12-15,18H2
InChIKeyWHXWKERZEBSVGZ-UHFFFAOYSA-N
XLogP4.68
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone with MolForge

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Related Compounds

[5-(naphthalen-2-yloxymethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 19579214
(4-benzylsulfonylpiperazin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 32648097
[4-[(2-bromophenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19331869
[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone
CID 19297368
[4-(1-aminoethyl)piperidin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119517190
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 55334172
(3-aminopiperidin-1-yl)-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone;hydrochloride
CID 119377660
[5-[(2-chlorophenoxy)methyl]furan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1224869
4-[4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839784
4-[4-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839912
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone (CID 112800527) is [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone is O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
The InChIKey is WHXWKERZEBSVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c29-22-7-3-6-21(17-22)27-12-14-28(15-13-27)26(30)25-11-10-24(32-25)18-31-23-9-8-19-4-1-2-5-20(19)16-23/h1-11,16-17,29H,12-15,18H2.
What are the key properties of [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone?
[4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone has a molecular weight of 428.49 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyphenyl)piperazin-1-yl]-[5-(naphthalen-2-yloxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 112800527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).