N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide

C15H24N4O2S — CID 47073371

IUPACN-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C15H24N4O2S/c1-12(14(20)17-15(21)16-2)19-9-7-18(8-10-19)6-5-13-4-3-11-22-13/h3-4,11-12H,5-10H2,1-2H3,(H2,16,17,20,21)
InChIKeyWTMDAKCUKLYFDX-UHFFFAOYSA-N
MW324.45 g/mol
LogP0.75
Rot. Bonds5

About N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide

N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide (PubChem CID 47073371) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
PubChem CID47073371
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(CCc2cccs2)CC1
InChIInChI=1S/C15H24N4O2S/c1-12(14(20)17-15(21)16-2)19-9-7-18(8-10-19)6-5-13-4-3-11-22-13/h3-4,11-12H,5-10H2,1-2H3,(H2,16,17,20,21)
InChIKeyWTMDAKCUKLYFDX-UHFFFAOYSA-N
XLogP0.75
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide (CID 47073371) is N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide is CNC(=O)NC(=O)C(C)N1CCN(CCc2cccs2)CC1.
What is the InChIKey of N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide?
The InChIKey is WTMDAKCUKLYFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12(14(20)17-15(21)16-2)19-9-7-18(8-10-19)6-5-13-4-3-11-22-13/h3-4,11-12H,5-10H2,1-2H3,(H2,16,17,20,21).
What are the key properties of N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide?
N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 47073371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).