(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione

C22H20N2O2 — CID 66825008

IUPAC(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)[C@H](Cc2cccc3ccccc23)N1
InChIInChI=1S/C22H20N2O2/c25-21-15-24(14-16-7-2-1-3-8-16)22(26)20(23-21)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20H,13-15H2,(H,23,25)/t20-/m0/s1
InChIKeyZCHOZIUDYBAODH-FQEVSTJZSA-N
MW344.41 g/mol
LogP2.91
Rot. Bonds4

About (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione

(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione (PubChem CID 66825008) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
PubChem CID66825008
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)[C@H](Cc2cccc3ccccc23)N1
InChIInChI=1S/C22H20N2O2/c25-21-15-24(14-16-7-2-1-3-8-16)22(26)20(23-21)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20H,13-15H2,(H,23,25)/t20-/m0/s1
InChIKeyZCHOZIUDYBAODH-FQEVSTJZSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione (CID 66825008) is (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)[C@H](Cc2cccc3ccccc23)N1.
What is the InChIKey of (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione?
The InChIKey is ZCHOZIUDYBAODH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21-15-24(14-16-7-2-1-3-8-16)22(26)20(23-21)13-18-11-6-10-17-9-4-5-12-19(17)18/h1-12,20H,13-15H2,(H,23,25)/t20-/m0/s1.
What are the key properties of (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione?
(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione has a molecular weight of 344.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 66825008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).