3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one

C25H32N2O2 — CID 10023443

IUPAC3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H32N2O2/c28-24(25(29,23-13-7-8-14-23)22-11-5-2-6-12-22)20-27-17-15-26(16-18-27)19-21-9-3-1-4-10-21/h1-6,9-12,23,29H,7-8,13-20H2
InChIKeyHLLLGKYQEQQFSS-UHFFFAOYSA-N
MW392.54 g/mol
LogP3.45
Rot. Bonds7

About 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one

3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one (PubChem CID 10023443) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one
PubChem CID10023443
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C25H32N2O2/c28-24(25(29,23-13-7-8-14-23)22-11-5-2-6-12-22)20-27-17-15-26(16-18-27)19-21-9-3-1-4-10-21/h1-6,9-12,23,29H,7-8,13-20H2
InChIKeyHLLLGKYQEQQFSS-UHFFFAOYSA-N
XLogP3.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one (CID 10023443) is 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one is O=C(CN1CCN(Cc2ccccc2)CC1)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one?
The InChIKey is HLLLGKYQEQQFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c28-24(25(29,23-13-7-8-14-23)22-11-5-2-6-12-22)20-27-17-15-26(16-18-27)19-21-9-3-1-4-10-21/h1-6,9-12,23,29H,7-8,13-20H2.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one?
3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one has a molecular weight of 392.54 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-1-cyclopentyl-1-hydroxy-1-phenylpropan-2-one is sourced from PubChem (CID 10023443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).