2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide

C18H24ClN3O2 — CID 3237152

IUPAC2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-5-14(6-8-15)17(18(24)20-16-3-1-2-4-16)22-11-9-21(13-23)10-12-22/h5-8,13,16-17H,1-4,9-12H2,(H,20,24)
InChIKeyXVLYPGLTZFXOOU-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.21
Rot. Bonds5

About 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide

2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide (PubChem CID 3237152) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide
PubChem CID3237152
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide
SMILESO=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H24ClN3O2/c19-15-7-5-14(6-8-15)17(18(24)20-16-3-1-2-4-16)22-11-9-21(13-23)10-12-22/h5-8,13,16-17H,1-4,9-12H2,(H,20,24)
InChIKeyXVLYPGLTZFXOOU-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide (CID 3237152) is 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide is O=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide?
The InChIKey is XVLYPGLTZFXOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-15-7-5-14(6-8-15)17(18(24)20-16-3-1-2-4-16)22-11-9-21(13-23)10-12-22/h5-8,13,16-17H,1-4,9-12H2,(H,20,24).
What are the key properties of 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide?
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide has a molecular weight of 349.86 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-cyclopentyl-2-(4-formylpiperazin-1-yl)acetamide is sourced from PubChem (CID 3237152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).