4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile

C22H23FN2O — CID 126842642

IUPAC4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccc(F)cc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C22H23FN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26)
InChIKeyPDYULQALGHZIOO-UHFFFAOYSA-N
MW350.44 g/mol
LogP4.51
Rot. Bonds4

About 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile

4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (PubChem CID 126842642) has the molecular formula C22H23FN2O and a molecular weight of 350.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
PubChem CID126842642
Molecular FormulaC22H23FN2O
Molecular Weight350.44 g/mol
Exact Mass350.18
IUPAC Name4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile
SMILESCC(C)Cc1ccc(C2CC(c3ccc(F)cc3)C(C#N)C(=O)N2)cc1
InChIInChI=1S/C22H23FN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26)
InChIKeyPDYULQALGHZIOO-UHFFFAOYSA-N
XLogP4.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(4-cyanophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10127183
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10194634
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(2-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216510
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(3-fluorophenyl)phenyl]ethyl]amino}pentanamide
CID 10216511
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenylphenyl)ethyl]amino}pentanamide
CID 23648300
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methylphenyl)phenyl]ethyl]amino}pentanamide
CID 23648301
N-(cyanomethyl)-4-methyl-2-{3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]phenyl}pentanamide
CID 10271564
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,4-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288162
(2S)-N-(cyanomethyl)-2-{[(1S)-1-[4-(3,5-difluorophenyl)phenyl]-2,2,2-trifluoroethyl]amino}-4-methylpentanamide
CID 10288163
N-(cyanomethyl)-4-methyl-2-(4-phenylphenyl)pentanamide
CID 18628679
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperidin-4-yl)phenyl]phenyl}pentanamide
CID 18628693

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile (CID 126842642) is 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is CC(C)Cc1ccc(C2CC(c3ccc(F)cc3)C(C#N)C(=O)N2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
The InChIKey is PDYULQALGHZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O/c1-14(2)11-15-3-5-17(6-4-15)21-12-19(20(13-24)22(26)25-21)16-7-9-18(23)10-8-16/h3-10,14,19-21H,11-12H2,1-2H3,(H,25,26).
What are the key properties of 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile?
4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile has a molecular weight of 350.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[4-(2-methylpropyl)phenyl]-2-oxopiperidine-3-carbonitrile is sourced from PubChem (CID 126842642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).