4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

C36H44N6O3 — CID 46879506

IUPAC4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C36H44N6O3/c1-38(2)36(45)42-17-13-29(14-18-42)34(43)40-19-15-31(16-20-40)39-21-23-41(24-22-39)35(44)30-25-32(27-9-5-3-6-10-27)37-33(26-30)28-11-7-4-8-12-28/h3-12,25-26,29,31H,13-24H2,1-2H3
InChIKeyQRWFRDCNTKWFDB-UHFFFAOYSA-N
MW608.79 g/mol
LogP4.56
Rot. Bonds5

About 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 46879506) has the molecular formula C36H44N6O3 and a molecular weight of 608.79 g/mol. Its IUPAC name is 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID46879506
Molecular FormulaC36H44N6O3
Molecular Weight608.79 g/mol
Exact Mass608.35
IUPAC Name4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1
InChIInChI=1S/C36H44N6O3/c1-38(2)36(45)42-17-13-29(14-18-42)34(43)40-19-15-31(16-20-40)39-21-23-41(24-22-39)35(44)30-25-32(27-9-5-3-6-10-27)37-33(26-30)28-11-7-4-8-12-28/h3-12,25-26,29,31H,13-24H2,1-2H3
InChIKeyQRWFRDCNTKWFDB-UHFFFAOYSA-N
XLogP4.56
TPSA80.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.79
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide (CID 46879506) is 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccccc5)c4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is QRWFRDCNTKWFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N6O3/c1-38(2)36(45)42-17-13-29(14-18-42)34(43)40-19-15-31(16-20-40)39-21-23-41(24-22-39)35(44)30-25-32(27-9-5-3-6-10-27)37-33(26-30)28-11-7-4-8-12-28/h3-12,25-26,29,31H,13-24H2,1-2H3.
What are the key properties of 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 608.79 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2,6-diphenylpyridine-4-carbonyl)piperazin-1-yl]piperidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 46879506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).