3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

C18H23N3O3 — CID 67244640

IUPAC3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESO=C1OC2(CCC(C(=O)NN3CCNCC3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O3/c22-16(20-21-11-9-19-10-12-21)13-5-7-18(8-6-13)15-4-2-1-3-14(15)17(23)24-18/h1-4,13,19H,5-12H2,(H,20,22)
InChIKeyGROKGHMAVKGFSQ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.18
Rot. Bonds2

About 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide

3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (PubChem CID 67244640) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.

Molecular Properties

Compound Name3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
PubChem CID67244640
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide
SMILESO=C1OC2(CCC(C(=O)NN3CCNCC3)CC2)c2ccccc21
InChIInChI=1S/C18H23N3O3/c22-16(20-21-11-9-19-10-12-21)13-5-7-18(8-6-13)15-4-2-1-3-14(15)17(23)24-18/h1-4,13,19H,5-12H2,(H,20,22)
InChIKeyGROKGHMAVKGFSQ-UHFFFAOYSA-N
XLogP1.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The IUPAC name of 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide (CID 67244640) is 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide.
What is the SMILES notation for 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The canonical SMILES for 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is O=C1OC2(CCC(C(=O)NN3CCNCC3)CC2)c2ccccc21.
What is the InChIKey of 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
The InChIKey is GROKGHMAVKGFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c22-16(20-21-11-9-19-10-12-21)13-5-7-18(8-6-13)15-4-2-1-3-14(15)17(23)24-18/h1-4,13,19H,5-12H2,(H,20,22).
What are the key properties of 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide?
3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-piperazin-1-ylspiro[2-benzofuran-1,4'-cyclohexane]-1'-carboxamide is sourced from PubChem (CID 67244640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).