1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione

C22H24N2O2 — CID 64879072

IUPAC1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)C(C)(C2CC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-21(17-11-7-4-8-12-17)20(26)24(15-16-9-5-3-6-10-16)22(2,18-13-14-18)19(25)23-21/h3-12,18H,13-15H2,1-2H3,(H,23,25)
InChIKeyIFEKWJSOFOGCMH-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.23
Rot. Bonds4

About 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione

1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64879072) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64879072
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)C(C)(C2CC2)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-21(17-11-7-4-8-12-17)20(26)24(15-16-9-5-3-6-10-16)22(2,18-13-14-18)19(25)23-21/h3-12,18H,13-15H2,1-2H3,(H,23,25)
InChIKeyIFEKWJSOFOGCMH-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione (CID 64879072) is 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione is CC1(c2ccccc2)NC(=O)C(C)(C2CC2)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is IFEKWJSOFOGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-21(17-11-7-4-8-12-17)20(26)24(15-16-9-5-3-6-10-16)22(2,18-13-14-18)19(25)23-21/h3-12,18H,13-15H2,1-2H3,(H,23,25).
What are the key properties of 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione?
1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 348.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64879072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).