ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate

C20H22N2O4S — CID 24793717

IUPACethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1
InChIInChI=1S/C20H22N2O4S/c1-3-25-20(24)22-9-7-21(8-10-22)19(23)16-11-14-12-26-15-6-4-5-13(2)17(15)18(14)27-16/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyONYQWSAKZLZVOG-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.53
Rot. Bonds2

About ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate (PubChem CID 24793717) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate
PubChem CID24793717
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Nameethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1
InChIInChI=1S/C20H22N2O4S/c1-3-25-20(24)22-9-7-21(8-10-22)19(23)16-11-14-12-26-15-6-4-5-13(2)17(15)18(14)27-16/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyONYQWSAKZLZVOG-UHFFFAOYSA-N
XLogP3.53
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate (CID 24793717) is ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cc3c(s2)-c2c(C)cccc2OC3)CC1.
What is the InChIKey of ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is ONYQWSAKZLZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-3-25-20(24)22-9-7-21(8-10-22)19(23)16-11-14-12-26-15-6-4-5-13(2)17(15)18(14)27-16/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 386.47 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(9-methyl-4H-thieno[3,2-c]chromene-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 24793717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).