N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide

C14H23N3OS — CID 16931459

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3OS/c1-3-14(18)15-10-13(12-4-9-19-11-12)17-7-5-16(2)6-8-17/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,15,18)
InChIKeyGTXFBXWBYUBPCX-UHFFFAOYSA-N
MW281.43 g/mol
LogP1.56
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide (PubChem CID 16931459) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
PubChem CID16931459
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide
SMILESCCC(=O)NCC(c1ccsc1)N1CCN(C)CC1
InChIInChI=1S/C14H23N3OS/c1-3-14(18)15-10-13(12-4-9-19-11-12)17-7-5-16(2)6-8-17/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,15,18)
InChIKeyGTXFBXWBYUBPCX-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)propanamide
CID 16931322
2-(4-chlorophenyl)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604637
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-3-phenylpropanamide
CID 16931428
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-(4-phenylphenyl)acetamide
CID 16931437
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931487
N-[(2S)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]cyclopentanecarboxamide
CID 51620596
2-(4-fluorophenoxy)-N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 30604861
4-chloro-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzamide
CID 16931378
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-4-propylbenzamide
CID 30604751
N'-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]oxamide
CID 16932240
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)pentanamide
CID 16931235

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide (CID 16931459) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide is CCC(=O)NCC(c1ccsc1)N1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide?
The InChIKey is GTXFBXWBYUBPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-14(18)15-10-13(12-4-9-19-11-12)17-7-5-16(2)6-8-17/h4,9,11,13H,3,5-8,10H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide has a molecular weight of 281.43 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]propanamide is sourced from PubChem (CID 16931459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).