4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile

C19H25N3O2 — CID 51090889

IUPAC4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-14-16-4-6-18(7-5-16)24-15-19(23)22-12-8-17(9-13-22)21-10-2-1-3-11-21/h4-7,17H,1-3,8-13,15H2
InChIKeyXIQBBNZRDWRNIA-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds4

About 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile

4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile (PubChem CID 51090889) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
PubChem CID51090889
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile
SMILESN#Cc1ccc(OCC(=O)N2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C19H25N3O2/c20-14-16-4-6-18(7-5-16)24-15-19(23)22-12-8-17(9-13-22)21-10-2-1-3-11-21/h4-7,17H,1-3,8-13,15H2
InChIKeyXIQBBNZRDWRNIA-UHFFFAOYSA-N
XLogP2.41
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868491
4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 2079009
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
4-[2-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 56795828
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
4-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 115965203
4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]phenoxy]benzonitrile
CID 24794508
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
4-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-oxoethoxy]benzonitrile
CID 66370455
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 754225
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile (CID 51090889) is 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile is N#Cc1ccc(OCC(=O)N2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile?
The InChIKey is XIQBBNZRDWRNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c20-14-16-4-6-18(7-5-16)24-15-19(23)22-12-8-17(9-13-22)21-10-2-1-3-11-21/h4-7,17H,1-3,8-13,15H2.
What are the key properties of 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile?
4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile has a molecular weight of 327.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile is sourced from PubChem (CID 51090889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).