(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

C14H19N3O3S — CID 66238264

IUPAC(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H19N3O3S/c15-12-8-20-7-11(12)14(19)17-4-2-16(3-5-17)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8,15H2
InChIKeyNXKPAERJWYCGKT-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.01
Rot. Bonds2

About (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 66238264) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
PubChem CID66238264
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C14H19N3O3S/c15-12-8-20-7-11(12)14(19)17-4-2-16(3-5-17)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8,15H2
InChIKeyNXKPAERJWYCGKT-UHFFFAOYSA-N
XLogP0.01
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 ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738835
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 60656601
[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 64891958
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 120789025
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
3-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 54873741
(4-aminooxolan-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 66240855

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone (CID 66238264) is (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is NXKPAERJWYCGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-12-8-20-7-11(12)14(19)17-4-2-16(3-5-17)13(18)10-1-6-21-9-10/h1,6,9,11-12H,2-5,7-8,15H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 309.39 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66238264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).