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

C24H26N2O — CID 141349847

IUPAC4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
SMILESCc1cc(C2CCC2)ccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H26N2O/c1-17-15-22(19-3-2-4-19)9-10-23(17)24(27)26-13-11-21(12-14-26)20-7-5-18(16-25)6-8-20/h5-10,15,19,21H,2-4,11-14H2,1H3
InChIKeyBCXGDKXIJLKNBI-UHFFFAOYSA-N
MW358.49 g/mol
LogP5.15
Rot. Bonds3

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

4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile (PubChem CID 141349847) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
PubChem CID141349847
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
SMILESCc1cc(C2CCC2)ccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C24H26N2O/c1-17-15-22(19-3-2-4-19)9-10-23(17)24(27)26-13-11-21(12-14-26)20-7-5-18(16-25)6-8-20/h5-10,15,19,21H,2-4,11-14H2,1H3
InChIKeyBCXGDKXIJLKNBI-UHFFFAOYSA-N
XLogP5.15
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 134513386
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
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-[5-(2-bromoacetyl)-4-cyclobutyl-2-methylbenzoyl]piperidin-4-yl]benzonitrile;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoyl chloride
CID 159745167
4-[1-[4-cyclopentyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl]benzonitrile;molecular hydrogen
CID 176574142
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N-propylbenzamide
CID 130194385
4-[1-[5-(1,5-dimethyl-3,4,6,7-tetrahydro-2H-imidazo[4,5-c]pyridin-2-yl)-2,4-dimethylbenzoyl]piperidin-4-yl]benzonitrile
CID 139558157
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
CID 24987425
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
4-[1-[3-(1,1-dioxo-1,4-thiazinan-4-yl)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 90874745

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile (CID 141349847) is 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile is Cc1cc(C2CCC2)ccc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile?
The InChIKey is BCXGDKXIJLKNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-17-15-22(19-3-2-4-19)9-10-23(17)24(27)26-13-11-21(12-14-26)20-7-5-18(16-25)6-8-20/h5-10,15,19,21H,2-4,11-14H2,1H3.
What are the key properties of 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile?
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile has a molecular weight of 358.49 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile is sourced from PubChem (CID 141349847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).