4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one

C28H32N2O2 — CID 10670209

IUPAC4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one
SMILESO=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
InChIInChI=1S/C28H32N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,28H,10,13,18-23H2
InChIKeyKSRAFZQYEJWAQE-UHFFFAOYSA-N
MW428.58 g/mol
LogP4.57
Rot. Bonds10

About 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one

4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one (PubChem CID 10670209) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one
PubChem CID10670209
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC Name4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one
SMILESO=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1
InChIInChI=1S/C28H32N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,28H,10,13,18-23H2
InChIKeyKSRAFZQYEJWAQE-UHFFFAOYSA-N
XLogP4.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one?
The IUPAC name of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one (CID 10670209) is 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one?
The canonical SMILES for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one is O=C1CN(CCOC(c2ccccc2)c2ccccc2)CCN1CCCc1ccccc1.
What is the InChIKey of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one?
The InChIKey is KSRAFZQYEJWAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c31-27-23-29(19-20-30(27)18-10-13-24-11-4-1-5-12-24)21-22-32-28(25-14-6-2-7-15-25)26-16-8-3-9-17-26/h1-9,11-12,14-17,28H,10,13,18-23H2.
What are the key properties of 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one?
4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one has a molecular weight of 428.58 g/mol, XLogP of 4.57, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydryloxyethyl)-1-(3-phenylpropyl)piperazin-2-one is sourced from PubChem (CID 10670209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).