1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one

C20H24N2O3 — CID 166477289

IUPAC1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(11-10-17-6-2-1-3-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-9,12-16H2
InChIKeyZCHRDJHCSCYXFG-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.67
Rot. Bonds3

About 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one

1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (PubChem CID 166477289) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one.

Molecular Properties

Compound Name1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
PubChem CID166477289
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
SMILESO=C(C#Cc1ccccc1)N1CCN(C(=O)COC2CCCC2)CC1
InChIInChI=1S/C20H24N2O3/c23-19(11-10-17-6-2-1-3-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-9,12-16H2
InChIKeyZCHRDJHCSCYXFG-UHFFFAOYSA-N
XLogP1.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The IUPAC name of 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one (CID 166477289) is 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one.
What is the SMILES notation for 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The canonical SMILES for 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is O=C(C#Cc1ccccc1)N1CCN(C(=O)COC2CCCC2)CC1.
What is the InChIKey of 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
The InChIKey is ZCHRDJHCSCYXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(11-10-17-6-2-1-3-7-17)21-12-14-22(15-13-21)20(24)16-25-18-8-4-5-9-18/h1-3,6-7,18H,4-5,8-9,12-16H2.
What are the key properties of 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one?
1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one has a molecular weight of 340.42 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-cyclopentyloxyacetyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one is sourced from PubChem (CID 166477289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).