2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

C14H23N3OS — CID 54869915

IUPAC2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H23N3OS/c1-12(2)15-9-14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13/h3,8,11-12,15H,4-7,9-10H2,1-2H3
InChIKeyOLLQNRUXMFURMT-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.39
Rot. Bonds5

About 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone

2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 54869915) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
PubChem CID54869915
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(C)NCC(=O)N1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C14H23N3OS/c1-12(2)15-9-14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13/h3,8,11-12,15H,4-7,9-10H2,1-2H3
InChIKeyOLLQNRUXMFURMT-UHFFFAOYSA-N
XLogP1.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 79200562
4-(methylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butan-1-one
CID 54869917
2-(propan-2-ylamino)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 60671249
2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethyl]sulfanylacetic acid
CID 104569508
2-(3-methylazetidin-3-yl)oxy-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 102611807
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
5-chloro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentan-1-one
CID 54874778
2-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 110899410
N-propan-2-yl-1-(thiophen-3-ylmethyl)piperidin-4-amine
CID 115882623
2-[(3S)-3-hydroxypiperidin-1-yl]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 94382593
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
2,2,3,3-tetrafluoro-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 103732222

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone (CID 54869915) is 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is CC(C)NCC(=O)N1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is OLLQNRUXMFURMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-12(2)15-9-14(18)17-6-4-16(5-7-17)10-13-3-8-19-11-13/h3,8,11-12,15H,4-7,9-10H2,1-2H3.
What are the key properties of 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone?
2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 281.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 54869915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).