4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile

C20H20N2O3 — CID 111425141

IUPAC4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccc(C(=O)N3CCC(O)CC3)c2)cc1
InChIInChI=1S/C20H20N2O3/c21-13-15-4-6-19(7-5-15)25-14-16-2-1-3-17(12-16)20(24)22-10-8-18(23)9-11-22/h1-7,12,18,23H,8-11,14H2
InChIKeyZRNJFUIFGRUFPN-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.73
Rot. Bonds4

About 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile

4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile (PubChem CID 111425141) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile.

Molecular Properties

Compound Name4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
PubChem CID111425141
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cccc(C(=O)N3CCC(O)CC3)c2)cc1
InChIInChI=1S/C20H20N2O3/c21-13-15-4-6-19(7-5-15)25-14-16-2-1-3-17(12-16)20(24)22-10-8-18(23)9-11-22/h1-7,12,18,23H,8-11,14H2
InChIKeyZRNJFUIFGRUFPN-UHFFFAOYSA-N
XLogP2.73
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(3-methylpyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 86957431
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
3-[[3-[4-(2-aminoethyl)piperidine-1-carbonyl]-5-(4-cyanophenoxy)phenoxy]methyl]benzonitrile
CID 141280516
[3-(chloromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 2794604
4-[[3-[(5R)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carbonyl]phenyl]methoxy]benzonitrile
CID 40646550
2-[[3-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenoxy]methyl]benzonitrile
CID 111561741
4-[(3-acetylphenyl)methoxy]benzonitrile;diiodovanadium
CID 159145288
4-[[3-(4-cyanophenoxy)-5-(4-ethylpiperidine-1-carbonyl)phenoxy]methyl]benzonitrile
CID 91205779
4-[[3-[5-hydroxy-3-methylidene-5-(trifluoromethyl)pyrazolidine-1-carbonyl]phenyl]methoxy]benzonitrile
CID 4748323
4-[4-[1-(3-methoxybenzoyl)piperidin-4-yl]oxyphenyl]benzonitrile
CID 24732831
3-[[4-(pyrrolidine-1-carbonyl)phenyl]methoxy]benzonitrile
CID 51190549
4-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidine-1-carbonyl]benzonitrile
CID 92900885

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The IUPAC name of 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile (CID 111425141) is 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile.
What is the SMILES notation for 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The canonical SMILES for 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile is N#Cc1ccc(OCc2cccc(C(=O)N3CCC(O)CC3)c2)cc1.
What is the InChIKey of 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile?
The InChIKey is ZRNJFUIFGRUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c21-13-15-4-6-19(7-5-15)25-14-16-2-1-3-17(12-16)20(24)22-10-8-18(23)9-11-22/h1-7,12,18,23H,8-11,14H2.
What are the key properties of 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile?
4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile has a molecular weight of 336.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxypiperidine-1-carbonyl)phenyl]methoxy]benzonitrile is sourced from PubChem (CID 111425141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).