N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide

C24H31FN4O2S — CID 20866458

IUPACN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O2S/c1-18(26-23(30)24(31)29-11-3-2-4-12-29)22(21-6-5-17-32-21)28-15-13-27(14-16-28)20-9-7-19(25)8-10-20/h5-10,17-18,22H,2-4,11-16H2,1H3,(H,26,30)
InChIKeyQHWYBBLGSCRRNR-UHFFFAOYSA-N
MW458.60 g/mol
LogP3.27
Rot. Bonds5

About N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 20866458) has the molecular formula C24H31FN4O2S and a molecular weight of 458.60 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID20866458
Molecular FormulaC24H31FN4O2S
Molecular Weight458.60 g/mol
Exact Mass458.22
IUPAC NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H31FN4O2S/c1-18(26-23(30)24(31)29-11-3-2-4-12-29)22(21-6-5-17-32-21)28-15-13-27(14-16-28)20-9-7-19(25)8-10-20/h5-10,17-18,22H,2-4,11-16H2,1H3,(H,26,30)
InChIKeyQHWYBBLGSCRRNR-UHFFFAOYSA-N
XLogP3.27
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (CID 20866458) is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is CC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is QHWYBBLGSCRRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2S/c1-18(26-23(30)24(31)29-11-3-2-4-12-29)22(21-6-5-17-32-21)28-15-13-27(14-16-28)20-9-7-19(25)8-10-20/h5-10,17-18,22H,2-4,11-16H2,1H3,(H,26,30).
What are the key properties of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 458.60 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 20866458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).