4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile

C29H32N4O2 — CID 66548318

IUPAC4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCOCc1cnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1
InChIInChI=1S/C29H32N4O2/c1-19-14-26(23-4-3-5-23)27(28-31-17-24(32-28)18-35-2)15-25(19)29(34)33-12-10-22(11-13-33)21-8-6-20(16-30)7-9-21/h6-9,14-15,17,22-23H,3-5,10-13,18H2,1-2H3,(H,31,32)
InChIKeyRDODUIHYKKDXGK-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.69
Rot. Bonds6

About 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile

4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile (PubChem CID 66548318) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile
PubChem CID66548318
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCOCc1cnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1
InChIInChI=1S/C29H32N4O2/c1-19-14-26(23-4-3-5-23)27(28-31-17-24(32-28)18-35-2)15-25(19)29(34)33-12-10-22(11-13-33)21-8-6-20(16-30)7-9-21/h6-9,14-15,17,22-23H,3-5,10-13,18H2,1-2H3,(H,31,32)
InChIKeyRDODUIHYKKDXGK-UHFFFAOYSA-N
XLogP5.69
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile (CID 66548318) is 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile is COCc1cnc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)[nH]1.
What is the InChIKey of 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is RDODUIHYKKDXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-19-14-26(23-4-3-5-23)27(28-31-17-24(32-28)18-35-2)15-25(19)29(34)33-12-10-22(11-13-33)21-8-6-20(16-30)7-9-21/h6-9,14-15,17,22-23H,3-5,10-13,18H2,1-2H3,(H,31,32).
What are the key properties of 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile?
4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 468.60 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-cyclobutyl-5-[5-(methoxymethyl)-1H-imidazol-2-yl]-2-methylbenzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 66548318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).