(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione

C20H22N2O2 — CID 6454124

IUPAC(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyKNKXKVUFAHAVOL-ROUUACIJSA-N
MW322.41 g/mol
LogP2.14
Rot. Bonds4

About (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione

(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione (PubChem CID 6454124) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
PubChem CID6454124
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
SMILESCN1C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C20H22N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1
InChIKeyKNKXKVUFAHAVOL-ROUUACIJSA-N
XLogP2.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione?
The IUPAC name of (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione (CID 6454124) is (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione.
What is the SMILES notation for (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione?
The canonical SMILES for (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione is CN1C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione?
The InChIKey is KNKXKVUFAHAVOL-ROUUACIJSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21-17(13-15-9-5-3-6-10-15)20(24)22(2)18(19(21)23)14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione?
(3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione has a molecular weight of 322.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 6454124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).