[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

C14H19N3O3S — CID 64891958

IUPAC[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCOC1
InChIInChI=1S/C14H19N3O3S/c15-14(2-7-20-10-14)13(19)17-5-3-16(4-6-17)12(18)11-1-8-21-9-11/h1,8-9H,2-7,10,15H2
InChIKeyKIWHYKMDAUNQPM-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.15
Rot. Bonds2

About [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 64891958) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID64891958
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCOC1
InChIInChI=1S/C14H19N3O3S/c15-14(2-7-20-10-14)13(19)17-5-3-16(4-6-17)12(18)11-1-8-21-9-11/h1,8-9H,2-7,10,15H2
InChIKeyKIWHYKMDAUNQPM-UHFFFAOYSA-N
XLogP0.15
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
1,5-dioxa-9-azaspiro[5.5]undecan-9-yl(thiophen-3-yl)methanone
CID 71785102
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 66238264
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
4-oxo-4-[4-(thiophene-3-carbonyl)piperazin-1-yl]butanoic acid
CID 60948619
[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119944853
(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
2,2-difluoro-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 103514904
(2S)-2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119298879
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 64891958) is [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is NC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCOC1.
What is the InChIKey of [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is KIWHYKMDAUNQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-14(2-7-20-10-14)13(19)17-5-3-16(4-6-17)12(18)11-1-8-21-9-11/h1,8-9H,2-7,10,15H2.
What are the key properties of [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 64891958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).