4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

C25H28N2 — CID 134513386

IUPAC4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C2CCC2)cc1C)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C25H28N2/c1-18-16-24(21-4-3-5-21)10-11-25(18)19(2)27-14-12-23(13-15-27)22-8-6-20(17-26)7-9-22/h6-11,16,21,23H,2-5,12-15H2,1H3
InChIKeyDRIYPRZHRHSEPA-UHFFFAOYSA-N
MW356.51 g/mol
LogP5.98
Rot. Bonds4

About 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile

4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (PubChem CID 134513386) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
PubChem CID134513386
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC Name4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
SMILESC=C(c1ccc(C2CCC2)cc1C)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C25H28N2/c1-18-16-24(21-4-3-5-21)10-11-25(18)19(2)27-14-12-23(13-15-27)22-8-6-20(17-26)7-9-22/h6-11,16,21,23H,2-5,12-15H2,1H3
InChIKeyDRIYPRZHRHSEPA-UHFFFAOYSA-N
XLogP5.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
4-[1-[1-[4-methyl-3-[(E)-3-(propan-2-ylideneamino)but-2-en-2-yl]phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 138718034
N-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 89273037
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
1-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]-3-(3-methylbutan-2-yl)urea
CID 143698584
4-[1-[(Z)-1-(3-amino-4-methylphenyl)prop-1-enyl]piperidin-4-yl]benzonitrile
CID 89265349
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N,4-dimethylbenzamide;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanamine
CID 158788228
4-[1-[1-[3-amino-4-(methylsulfanylmethyl)phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 89265409
4-[1-[1-[4-cyclohexyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylphenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 166944554

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile (CID 134513386) is 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is C=C(c1ccc(C2CCC2)cc1C)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
The InChIKey is DRIYPRZHRHSEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2/c1-18-16-24(21-4-3-5-21)10-11-25(18)19(2)27-14-12-23(13-15-27)22-8-6-20(17-26)7-9-22/h6-11,16,21,23H,2-5,12-15H2,1H3.
What are the key properties of 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile?
4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile has a molecular weight of 356.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 134513386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).