4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one

C22H19N3O2 — CID 170715914

IUPAC4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cn2)CCN1
InChIInChI=1S/C22H19N3O2/c26-21-15-25(12-11-23-21)22(27)20-13-18(16-7-3-1-4-8-16)19(14-24-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,26)
InChIKeyYDTVEBUEMTVADA-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.99
Rot. Bonds3

About 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one

4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one (PubChem CID 170715914) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
PubChem CID170715914
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one
SMILESO=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cn2)CCN1
InChIInChI=1S/C22H19N3O2/c26-21-15-25(12-11-23-21)22(27)20-13-18(16-7-3-1-4-8-16)19(14-24-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,26)
InChIKeyYDTVEBUEMTVADA-UHFFFAOYSA-N
XLogP2.99
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one?
The IUPAC name of 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one (CID 170715914) is 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one is O=C1CN(C(=O)c2cc(-c3ccccc3)c(-c3ccccc3)cn2)CCN1.
What is the InChIKey of 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one?
The InChIKey is YDTVEBUEMTVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-15-25(12-11-23-21)22(27)20-13-18(16-7-3-1-4-8-16)19(14-24-20)17-9-5-2-6-10-17/h1-10,13-14H,11-12,15H2,(H,23,26).
What are the key properties of 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one?
4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one has a molecular weight of 357.41 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-diphenylpyridine-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 170715914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).