3-benzyl-3-phenylpiperazin-2-one

C17H18N2O — CID 62352459

IUPAC3-benzyl-3-phenylpiperazin-2-one
SMILESO=C1NCCNC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-16-17(19-12-11-18-16,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,19H,11-13H2,(H,18,20)
InChIKeyBRZJWMQYTQASJN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.84
Rot. Bonds3

About 3-benzyl-3-phenylpiperazin-2-one

3-benzyl-3-phenylpiperazin-2-one (PubChem CID 62352459) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-benzyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name3-benzyl-3-phenylpiperazin-2-one
PubChem CID62352459
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-benzyl-3-phenylpiperazin-2-one
SMILESO=C1NCCNC1(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2O/c20-16-17(19-12-11-18-16,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,19H,11-13H2,(H,18,20)
InChIKeyBRZJWMQYTQASJN-UHFFFAOYSA-N
XLogP1.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-phenylpiperazin-2-one?
The IUPAC name of 3-benzyl-3-phenylpiperazin-2-one (CID 62352459) is 3-benzyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 3-benzyl-3-phenylpiperazin-2-one?
The canonical SMILES for 3-benzyl-3-phenylpiperazin-2-one is O=C1NCCNC1(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzyl-3-phenylpiperazin-2-one?
The InChIKey is BRZJWMQYTQASJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-16-17(19-12-11-18-16,15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-10,19H,11-13H2,(H,18,20).
What are the key properties of 3-benzyl-3-phenylpiperazin-2-one?
3-benzyl-3-phenylpiperazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 62352459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).