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

C25H34N4O2S — CID 20866415

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N4O2S/c1-20(26-24(30)25(31)29-12-6-3-7-13-29)23(22-11-8-18-32-22)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2,4-5,8-11,18,20,23H,3,6-7,12-17,19H2,1H3,(H,26,30)
InChIKeyISKCOASCWINRIG-UHFFFAOYSA-N
MW454.64 g/mol
LogP3.12
Rot. Bonds6

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

N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 20866415) has the molecular formula C25H34N4O2S and a molecular weight of 454.64 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID20866415
Molecular FormulaC25H34N4O2S
Molecular Weight454.64 g/mol
Exact Mass454.24
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N4O2S/c1-20(26-24(30)25(31)29-12-6-3-7-13-29)23(22-11-8-18-32-22)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2,4-5,8-11,18,20,23H,3,6-7,12-17,19H2,1H3,(H,26,30)
InChIKeyISKCOASCWINRIG-UHFFFAOYSA-N
XLogP3.12
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.64
LogP ≤ 53.12
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-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (CID 20866415) is N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is CC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is ISKCOASCWINRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2S/c1-20(26-24(30)25(31)29-12-6-3-7-13-29)23(22-11-8-18-32-22)28-16-14-27(15-17-28)19-21-9-4-2-5-10-21/h2,4-5,8-11,18,20,23H,3,6-7,12-17,19H2,1H3,(H,26,30).
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 454.64 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 20866415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).