2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one

C14H21N3O2S — CID 60962811

IUPAC2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21N3O2S/c1-2-3-12(15)14(19)17-7-5-16(6-8-17)13(18)11-4-9-20-10-11/h4,9-10,12H,2-3,5-8,15H2,1H3
InChIKeyRVILGEINGCFFEG-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.16
Rot. Bonds4

About 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one

2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one (PubChem CID 60962811) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
PubChem CID60962811
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H21N3O2S/c1-2-3-12(15)14(19)17-7-5-16(6-8-17)13(18)11-4-9-20-10-11/h4,9-10,12H,2-3,5-8,15H2,1H3
InChIKeyRVILGEINGCFFEG-UHFFFAOYSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

(2R)-2-amino-4-methylsulfanyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 104907865
(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-3-phenyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298888
2-(aminomethyl)-3-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one
CID 65227352
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
2-amino-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]pentan-1-one
CID 75418356
2-methyl-3-(methylamino)-1-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119738850
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one (CID 60962811) is 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one?
The InChIKey is RVILGEINGCFFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-3-12(15)14(19)17-7-5-16(6-8-17)13(18)11-4-9-20-10-11/h4,9-10,12H,2-3,5-8,15H2,1H3.
What are the key properties of 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one?
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one has a molecular weight of 295.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 60962811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).