cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone

C34H40N4O2 — CID 46879495

IUPACcyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2
InChIKeyDCJJPTOOBKPFNO-UHFFFAOYSA-N
MW536.72 g/mol
LogP5.74
Rot. Bonds5

About cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone

cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 46879495) has the molecular formula C34H40N4O2 and a molecular weight of 536.72 g/mol. Its IUPAC name is cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID46879495
Molecular FormulaC34H40N4O2
Molecular Weight536.72 g/mol
Exact Mass536.32
IUPAC Namecyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESO=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2
InChIKeyDCJJPTOOBKPFNO-UHFFFAOYSA-N
XLogP5.74
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone 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 cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 46879495) is cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone is O=C(c1cc(-c2ccccc2)nc(-c2ccccc2)c1)N1CCN(C2CCN(C(=O)C3CCCCC3)CC2)CC1.
What is the InChIKey of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is DCJJPTOOBKPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O2/c39-33(28-14-8-3-9-15-28)37-18-16-30(17-19-37)36-20-22-38(23-21-36)34(40)29-24-31(26-10-4-1-5-11-26)35-32(25-29)27-12-6-2-7-13-27/h1-2,4-7,10-13,24-25,28,30H,3,8-9,14-23H2.
What are the key properties of cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone?
cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 536.72 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46879495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).