ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate

C15H20N2O3S — CID 51896985

IUPACethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C15H20N2O3S/c1-2-20-15(19)17-7-5-16(6-8-17)14(18)12-10-11(12)13-4-3-9-21-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t11-,12+/m1/s1
InChIKeyQYBZCIXCIWGSHK-NEPJUHHUSA-N
MW308.40 g/mol
LogP2.15
Rot. Bonds3

About ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 51896985) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID51896985
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Nameethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1
InChIInChI=1S/C15H20N2O3S/c1-2-20-15(19)17-7-5-16(6-8-17)14(18)12-10-11(12)13-4-3-9-21-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t11-,12+/m1/s1
InChIKeyQYBZCIXCIWGSHK-NEPJUHHUSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate 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
ethyl 4-[(1S,2R)-2-(furan-2-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 97029153
(4-phenylpiperazin-1-yl)-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681313
2-(4-methoxyphenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51897971
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51896777
2-(2-chlorophenyl)-1-[4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 51896786
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R)-2-thiophen-2-ylcyclopropyl]methanone
CID 176521046
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 51894534
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone
CID 110681327
ethyl 3-thiophen-2-ylpiperazine-1-carboxylate
CID 2771741

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate (CID 51896985) is ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cccs2)CC1.
What is the InChIKey of ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is QYBZCIXCIWGSHK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-2-20-15(19)17-7-5-16(6-8-17)14(18)12-10-11(12)13-4-3-9-21-13/h3-4,9,11-12H,2,5-8,10H2,1H3/t11-,12+/m1/s1.
What are the key properties of ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1S,2R)-2-thiophen-2-ylcyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 51896985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).