2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one

C15H23N3O2S — CID 65227352

IUPAC2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)C(CN)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(2)13(9-16)15(20)18-6-4-17(5-7-18)14(19)12-3-8-21-10-12/h3,8,10-11,13H,4-7,9,16H2,1-2H3
InChIKeyUFUZYGNXPOBSFB-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.26
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one

2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 65227352) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID65227352
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
SMILESCC(C)C(CN)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C15H23N3O2S/c1-11(2)13(9-16)15(20)18-6-4-17(5-7-18)14(19)12-3-8-21-10-12/h3,8,10-11,13H,4-7,9,16H2,1-2H3
InChIKeyUFUZYGNXPOBSFB-UHFFFAOYSA-N
XLogP1.26
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
(2R)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298897
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 60962811
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
(2R)-2-amino-4-methylsulfanyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 104907865
2-methyl-3-(methylamino)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738850
2-[4-(thiophene-3-carbonyl)piperazin-1-yl]propanethioamide
CID 55201014
2-amino-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298888
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one (CID 65227352) is 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one is CC(C)C(CN)C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is UFUZYGNXPOBSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-11(2)13(9-16)15(20)18-6-4-17(5-7-18)14(19)12-3-8-21-10-12/h3,8,10-11,13H,4-7,9,16H2,1-2H3.
What are the key properties of 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one?
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 309.44 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 65227352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).