N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide

C23H29FN4O3S — CID 20866459

IUPACN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCOCC1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3S/c1-17(25-22(29)23(30)28-12-14-31-15-13-28)21(20-3-2-16-32-20)27-10-8-26(9-11-27)19-6-4-18(24)5-7-19/h2-7,16-17,21H,8-15H2,1H3,(H,25,29)
InChIKeyLSMUTCNZKMCKTG-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.11
Rot. Bonds5

About N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide

N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide (PubChem CID 20866459) has the molecular formula C23H29FN4O3S and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
PubChem CID20866459
Molecular FormulaC23H29FN4O3S
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC NameN-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide
SMILESCC(NC(=O)C(=O)N1CCOCC1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H29FN4O3S/c1-17(25-22(29)23(30)28-12-14-31-15-13-28)21(20-3-2-16-32-20)27-10-8-26(9-11-27)19-6-4-18(24)5-7-19/h2-7,16-17,21H,8-15H2,1H3,(H,25,29)
InChIKeyLSMUTCNZKMCKTG-UHFFFAOYSA-N
XLogP2.11
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-morpholin-4-yl-2-oxoacetamide?
The IUPAC name of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide (CID 20866459) is N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide.
What is the SMILES notation for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
The canonical SMILES for N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide is CC(NC(=O)C(=O)N1CCOCC1)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-morpholin-4-yl-2-oxoacetamide?
The InChIKey is LSMUTCNZKMCKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3S/c1-17(25-22(29)23(30)28-12-14-31-15-13-28)21(20-3-2-16-32-20)27-10-8-26(9-11-27)19-6-4-18(24)5-7-19/h2-7,16-17,21H,8-15H2,1H3,(H,25,29).
What are the key properties of N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide?
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-morpholin-4-yl-2-oxoacetamide has a molecular weight of 460.58 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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-morpholin-4-yl-2-oxoacetamide is sourced from PubChem (CID 20866459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).