4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile

C20H20N2O2 — CID 7697193

IUPAC4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
SMILESN#Cc1ccc(O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c21-15-16-9-11-18(12-10-16)24-19(17-7-3-1-4-8-17)20(23)22-13-5-2-6-14-22/h1,3-4,7-12,19H,2,5-6,13-14H2/t19-/m0/s1
InChIKeyCEIXJCJCWMJYMP-IBGZPJMESA-N
MW320.39 g/mol
LogP3.69
Rot. Bonds4

About 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile

4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile (PubChem CID 7697193) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile.

Molecular Properties

Compound Name4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
PubChem CID7697193
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile
SMILESN#Cc1ccc(O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H20N2O2/c21-15-16-9-11-18(12-10-16)24-19(17-7-3-1-4-8-17)20(23)22-13-5-2-6-14-22/h1,3-4,7-12,19H,2,5-6,13-14H2/t19-/m0/s1
InChIKeyCEIXJCJCWMJYMP-IBGZPJMESA-N
XLogP3.69
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethoxy)phenyl]benzonitrile
CID 71901975
2-(4-methylsulfonylphenoxy)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 51210306
4-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]benzonitrile
CID 41310830
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-cyanobenzoate
CID 7705315
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-cyanobenzoate
CID 7705295
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
7-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]chromen-2-one
CID 7715462
3-methyl-2-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]butanenitrile
CID 56532537
4-[1-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 46483655
3-(azepan-1-yl)-3-oxo-2-phenylpropanenitrile
CID 62877694
(2S)-2-naphthalen-1-yloxy-2-phenyl-1-piperidin-1-ylethanone
CID 7697331
2-phenoxy-2-phenyl-1-(4-pyrrolidin-1-ylsulfonylpiperidin-1-yl)ethanone
CID 138992541

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile?
The IUPAC name of 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile (CID 7697193) is 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile.
What is the SMILES notation for 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile?
The canonical SMILES for 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile is N#Cc1ccc(O[C@H](C(=O)N2CCCCC2)c2ccccc2)cc1.
What is the InChIKey of 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile?
The InChIKey is CEIXJCJCWMJYMP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O2/c21-15-16-9-11-18(12-10-16)24-19(17-7-3-1-4-8-17)20(23)22-13-5-2-6-14-22/h1,3-4,7-12,19H,2,5-6,13-14H2/t19-/m0/s1.
What are the key properties of 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile?
4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile has a molecular weight of 320.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethoxy]benzonitrile is sourced from PubChem (CID 7697193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).