5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one

C15H23N3O2S — CID 104684820

IUPAC5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H23N3O2S/c1-12(4-2-6-16)14(19)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13/h3,5,11-12H,2,4,6-10,16H2,1H3
InChIKeyNOGZSDSKIJPMDI-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.41
Rot. Bonds5

About 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one

5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 104684820) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID104684820
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCC(CCCN)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H23N3O2S/c1-12(4-2-6-16)14(19)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13/h3,5,11-12H,2,4,6-10,16H2,1H3
InChIKeyNOGZSDSKIJPMDI-UHFFFAOYSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 131950339
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
[4-(2-hydroxypropyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 82120170
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
(2R)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanoic acid
CID 28705160
2-amino-2-(4-methylphenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 120666745
5-amino-2-methyl-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pentan-1-one
CID 104684308
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 119689025
2-[ethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 131916793

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one (CID 104684820) is 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one is CC(CCCN)C(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is NOGZSDSKIJPMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12(4-2-6-16)14(19)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13/h3,5,11-12H,2,4,6-10,16H2,1H3.
What are the key properties of 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one?
5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 309.44 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 104684820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).