2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one

C25H32N2O2 — CID 18740039

IUPAC2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23,25H,7,12-20H2
InChIKeyBEIBAKIVHPYFPP-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.78
Rot. Bonds8

About 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one

2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one (PubChem CID 18740039) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one
PubChem CID18740039
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one
SMILESO=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H32N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23,25H,7,12-20H2
InChIKeyBEIBAKIVHPYFPP-UHFFFAOYSA-N
XLogP3.78
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The IUPAC name of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one (CID 18740039) is 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one.
What is the SMILES notation for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The canonical SMILES for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one is O=C1CCCC1CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
The InChIKey is BEIBAKIVHPYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-24-13-7-12-23(24)20-27-16-14-26(15-17-27)18-19-29-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-11,23,25H,7,12-20H2.
What are the key properties of 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one?
2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one has a molecular weight of 392.54 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-benzhydryloxyethyl)piperazin-1-yl]methyl]cyclopentan-1-one is sourced from PubChem (CID 18740039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).