(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one

C28H30N2O3 — CID 122600547

IUPAC(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-21(2)33-26-15-13-24(14-16-26)28(32)29-19-25(17-22-9-5-3-6-10-22)30(27(31)20-29)18-23-11-7-4-8-12-23/h3-16,21,25H,17-20H2,1-2H3/t25-/m0/s1
InChIKeyRZCFIEQVUOGJRZ-VWLOTQADSA-N
MW442.56 g/mol
LogP4.57
Rot. Bonds7

About (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one

(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one (PubChem CID 122600547) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
PubChem CID122600547
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one
SMILESCC(C)Oc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1
InChIInChI=1S/C28H30N2O3/c1-21(2)33-26-15-13-24(14-16-26)28(32)29-19-25(17-22-9-5-3-6-10-22)30(27(31)20-29)18-23-11-7-4-8-12-23/h3-16,21,25H,17-20H2,1-2H3/t25-/m0/s1
InChIKeyRZCFIEQVUOGJRZ-VWLOTQADSA-N
XLogP4.57
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one 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 (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The IUPAC name of (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one (CID 122600547) is (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one.
What is the SMILES notation for (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The canonical SMILES for (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one is CC(C)Oc1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1.
What is the InChIKey of (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
The InChIKey is RZCFIEQVUOGJRZ-VWLOTQADSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-21(2)33-26-15-13-24(14-16-26)28(32)29-19-25(17-22-9-5-3-6-10-22)30(27(31)20-29)18-23-11-7-4-8-12-23/h3-16,21,25H,17-20H2,1-2H3/t25-/m0/s1.
What are the key properties of (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one?
(6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one has a molecular weight of 442.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1,6-dibenzyl-4-(4-propan-2-yloxybenzoyl)piperazin-2-one is sourced from PubChem (CID 122600547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).