[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

C13H17N3O2S — CID 65466438

IUPAC[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C13H17N3O2S/c14-13(3-4-13)12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,14H2
InChIKeyWKZWFCYKUZVBND-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.52
Rot. Bonds2

About [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 65466438) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID65466438
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1
InChIInChI=1S/C13H17N3O2S/c14-13(3-4-13)12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,14H2
InChIKeyWKZWFCYKUZVBND-UHFFFAOYSA-N
XLogP0.52
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 119689025
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone
CID 119894758
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
(1-aminocyclopropyl)-(4-thiophen-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119894757
N-methyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 47127631
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
(4-aminophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689026

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 65466438) is [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is NC1(C(=O)N2CCN(C(=O)c3cccs3)CC2)CC1.
What is the InChIKey of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is WKZWFCYKUZVBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c14-13(3-4-13)12(18)16-7-5-15(6-8-16)11(17)10-2-1-9-19-10/h1-2,9H,3-8,14H2.
What are the key properties of [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 279.36 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 65466438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).