4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one

C17H21ClN2O3 — CID 77082700

IUPAC4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(C(O)c1cccc(Cl)c1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H21ClN2O3/c18-13-5-3-4-12(10-13)16(22)17(23)19-8-9-20(15(21)11-19)14-6-1-2-7-14/h3-5,10,14,16,22H,1-2,6-9,11H2
InChIKeyGFSYFBRVDPHRTG-UHFFFAOYSA-N
MW336.82 g/mol
LogP1.99
Rot. Bonds3

About 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one

4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one (PubChem CID 77082700) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
PubChem CID77082700
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one
SMILESO=C(C(O)c1cccc(Cl)c1)N1CCN(C2CCCC2)C(=O)C1
InChIInChI=1S/C17H21ClN2O3/c18-13-5-3-4-12(10-13)16(22)17(23)19-8-9-20(15(21)11-19)14-6-1-2-7-14/h3-5,10,14,16,22H,1-2,6-9,11H2
InChIKeyGFSYFBRVDPHRTG-UHFFFAOYSA-N
XLogP1.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one?
The IUPAC name of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one (CID 77082700) is 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one.
What is the SMILES notation for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one?
The canonical SMILES for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one is O=C(C(O)c1cccc(Cl)c1)N1CCN(C2CCCC2)C(=O)C1.
What is the InChIKey of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one?
The InChIKey is GFSYFBRVDPHRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c18-13-5-3-4-12(10-13)16(22)17(23)19-8-9-20(15(21)11-19)14-6-1-2-7-14/h3-5,10,14,16,22H,1-2,6-9,11H2.
What are the key properties of 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one?
4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one has a molecular weight of 336.82 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenyl)-2-hydroxyacetyl]-1-cyclopentylpiperazin-2-one is sourced from PubChem (CID 77082700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).