[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone

C17H18N2O3S — CID 95967610

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-11-12(13)15-4-2-10-23-15)18-5-7-19(8-6-18)17(21)14-3-1-9-22-14/h1-4,9-10,12-13H,5-8,11H2/t12-,13+/m1/s1
InChIKeyXCQVRFYIVWFJSI-OLZOCXBDSA-N
MW330.41 g/mol
LogP2.43
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone (PubChem CID 95967610) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
PubChem CID95967610
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C17H18N2O3S/c20-16(13-11-12(13)15-4-2-10-23-15)18-5-7-19(8-6-18)17(21)14-3-1-9-22-14/h1-4,9-10,12-13H,5-8,11H2/t12-,13+/m1/s1
InChIKeyXCQVRFYIVWFJSI-OLZOCXBDSA-N
XLogP2.43
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone with MolForge

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Related Compounds

(4-methylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681285
piperidin-1-yl-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681274
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
CID 51896985
aziridin-1-yl-[2-(furan-2-yl)cyclopropyl]methanone
CID 130606481
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 30944839
[1-(furan-2-carbonyl)piperidin-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 43045608
furan-2-yl-[4-(1-thiophen-2-ylethyl)piperazin-1-yl]methanone
CID 110664567
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone (CID 95967610) is [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone is O=C(c1ccco1)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone?
The InChIKey is XCQVRFYIVWFJSI-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H18N2O3S/c20-16(13-11-12(13)15-4-2-10-23-15)18-5-7-19(8-6-18)17(21)14-3-1-9-22-14/h1-4,9-10,12-13H,5-8,11H2/t12-,13+/m1/s1.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone has a molecular weight of 330.41 g/mol, XLogP of 2.43, 3 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]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone is sourced from PubChem (CID 95967610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).