4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

C24H22N2O4 — CID 86886879

IUPAC4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)o2)cc1
InChIInChI=1S/C24H22N2O4/c25-15-17-1-7-21(8-2-17)29-16-22-9-10-23(30-22)24(28)26-13-11-19(12-14-26)18-3-5-20(27)6-4-18/h1-10,19,27H,11-14,16H2
InChIKeyCICNXYDBLKFCAT-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.46
Rot. Bonds5

About 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile

4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (PubChem CID 86886879) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
PubChem CID86886879
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)o2)cc1
InChIInChI=1S/C24H22N2O4/c25-15-17-1-7-21(8-2-17)29-16-22-9-10-23(30-22)24(28)26-13-11-19(12-14-26)18-3-5-20(27)6-4-18/h1-10,19,27H,11-14,16H2
InChIKeyCICNXYDBLKFCAT-UHFFFAOYSA-N
XLogP4.46
TPSA86.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-[4-(2-hydroxy-2-phenylethyl)piperazine-1-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 86905262
4-[4-[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839912
4-[[5-[(2R,5S)-2,5-dimethylmorpholine-4-carbonyl]furan-2-yl]methoxy]benzonitrile
CID 95281119
(4-aminopiperidin-1-yl)-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone
CID 119375154
5-[(4-cyanophenoxy)methyl]furan-2-carboxylate
CID 4290764
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 134044391
4-[4-[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839784
[(3R)-3-aminopyrrolidin-1-yl]-[5-[(4-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119411658
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
5-[(4-cyanophenoxy)methyl]-N-(2-cyclopentylethyl)furan-2-carboxamide
CID 86886568
4-[1-(oxirane-2-carbonyl)piperidin-4-yl]benzonitrile
CID 154880231

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The IUPAC name of 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile (CID 86886879) is 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The canonical SMILES for 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is N#Cc1ccc(OCc2ccc(C(=O)N3CCC(c4ccc(O)cc4)CC3)o2)cc1.
What is the InChIKey of 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
The InChIKey is CICNXYDBLKFCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c25-15-17-1-7-21(8-2-17)29-16-22-9-10-23(30-22)24(28)26-13-11-19(12-14-26)18-3-5-20(27)6-4-18/h1-10,19,27H,11-14,16H2.
What are the key properties of 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile?
4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile has a molecular weight of 402.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(4-hydroxyphenyl)piperidine-1-carbonyl]furan-2-yl]methoxy]benzonitrile is sourced from PubChem (CID 86886879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).