[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

C14H14N2O3S — CID 60656601

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H14N2O3S/c17-13(11-3-9-20-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-19-12/h1-3,8-10H,4-7H2
InChIKeyTVXQKFHIKQCCOO-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.94
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone

[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (PubChem CID 60656601) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
PubChem CID60656601
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H14N2O3S/c17-13(11-3-9-20-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-19-12/h1-3,8-10H,4-7H2
InChIKeyTVXQKFHIKQCCOO-UHFFFAOYSA-N
XLogP1.94
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
azepan-1-yl(furan-2-yl)methanone
CID 5200992
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(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-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
2-amino-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 54873740
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
[4-(difluoromethylsulfanyl)phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 42093720
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone (CID 60656601) is [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is TVXQKFHIKQCCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(11-3-9-20-10-11)15-4-6-16(7-5-15)14(18)12-2-1-8-19-12/h1-3,8-10H,4-7H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 290.34 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 60656601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).