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

C14H21N3O2S — CID 79805632

IUPAC2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C)(N)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-3-14(2,15)13(19)17-8-6-16(7-9-17)12(18)11-5-4-10-20-11/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyKOTABGQPBHXLIP-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.16
Rot. Bonds3

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

2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 79805632) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID79805632
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
SMILESCCC(C)(N)C(=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C14H21N3O2S/c1-3-14(2,15)13(19)17-8-6-16(7-9-17)12(18)11-5-4-10-20-11/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyKOTABGQPBHXLIP-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
2-ethyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 110346934
ethyl 4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoate
CID 108569593
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
(4-butan-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone;oxalic acid
CID 2880105
ethyl 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoate
CID 113080733
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 65466438

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one (CID 79805632) is 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is CCC(C)(N)C(=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is KOTABGQPBHXLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-14(2,15)13(19)17-8-6-16(7-9-17)12(18)11-5-4-10-20-11/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one?
2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 295.41 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 79805632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).