5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide

C14H23N3O2 — CID 119446544

IUPAC5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCCN2CCNCC2)cc1C
InChIInChI=1S/C14H23N3O2/c1-3-12-11(2)10-13(19-12)14(18)16-6-9-17-7-4-15-5-8-17/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXHNABBBEHFUDJG-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.79
Rot. Bonds5

About 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide

5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide (PubChem CID 119446544) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide
PubChem CID119446544
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCCN2CCNCC2)cc1C
InChIInChI=1S/C14H23N3O2/c1-3-12-11(2)10-13(19-12)14(18)16-6-9-17-7-4-15-5-8-17/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXHNABBBEHFUDJG-UHFFFAOYSA-N
XLogP0.79
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide (CID 119446544) is 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide is CCc1oc(C(=O)NCCN2CCNCC2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide?
The InChIKey is XHNABBBEHFUDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-12-11(2)10-13(19-12)14(18)16-6-9-17-7-4-15-5-8-17/h10,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide?
5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(2-piperazin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 119446544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).