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

C19H30N4O2S — CID 20866351

IUPACN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H30N4O2S/c1-15(20-18(24)19(25)23-8-4-3-5-9-23)17(16-7-6-14-26-16)22-12-10-21(2)11-13-22/h6-7,14-15,17H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeySDVHDCAMYWIMRX-UHFFFAOYSA-N
MW378.54 g/mol
LogP1.55
Rot. Bonds4

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

N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (PubChem CID 20866351) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
PubChem CID20866351
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC NameN-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide
SMILESCC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C19H30N4O2S/c1-15(20-18(24)19(25)23-8-4-3-5-9-23)17(16-7-6-14-26-16)22-12-10-21(2)11-13-22/h6-7,14-15,17H,3-5,8-13H2,1-2H3,(H,20,24)
InChIKeySDVHDCAMYWIMRX-UHFFFAOYSA-N
XLogP1.55
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 51.55
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-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The IUPAC name of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide (CID 20866351) is N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is CC(NC(=O)C(=O)N1CCCCC1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
The InChIKey is SDVHDCAMYWIMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-15(20-18(24)19(25)23-8-4-3-5-9-23)17(16-7-6-14-26-16)22-12-10-21(2)11-13-22/h6-7,14-15,17H,3-5,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide?
N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide has a molecular weight of 378.54 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-oxo-2-piperidin-1-ylacetamide is sourced from PubChem (CID 20866351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).