[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

C19H19N5O5 — CID 16560225

IUPAC[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N5O5/c25-17(22-7-9-23(10-8-22)19(27)16-6-3-11-28-16)13-29-18(26)12-24-15-5-2-1-4-14(15)20-21-24/h1-6,11H,7-10,12-13H2
InChIKeyDSYORXWVJMYMMD-UHFFFAOYSA-N
MW397.39 g/mol
LogP0.55
Rot. Bonds5

About [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate

[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (PubChem CID 16560225) has the molecular formula C19H19N5O5 and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.

Molecular Properties

Compound Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
PubChem CID16560225
Molecular FormulaC19H19N5O5
Molecular Weight397.39 g/mol
Exact Mass397.14
IUPAC Name[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
SMILESO=C(Cn1nnc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H19N5O5/c25-17(22-7-9-23(10-8-22)19(27)16-6-3-11-28-16)13-29-18(26)12-24-15-5-2-1-4-14(15)20-21-24/h1-6,11H,7-10,12-13H2
InChIKeyDSYORXWVJMYMMD-UHFFFAOYSA-N
XLogP0.55
TPSA110.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23737677
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2336332
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 23793377
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(benzotriazol-1-yl)acetate
CID 55374047
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-hydroxybenzoate
CID 2388350
[2-(benzylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 2554046
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2360096
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23966626
[2-(cyclopentylamino)-2-oxoethyl] 2-(benzotriazol-1-yl)acetate
CID 23908032
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 2355144
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-1,2-oxazole-5-carboxylate
CID 7737584

Frequently Asked Questions

What is the IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The IUPAC name of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate (CID 16560225) is [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate.
What is the SMILES notation for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The canonical SMILES for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is O=C(Cn1nnc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
The InChIKey is DSYORXWVJMYMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O5/c25-17(22-7-9-23(10-8-22)19(27)16-6-3-11-28-16)13-29-18(26)12-24-15-5-2-1-4-14(15)20-21-24/h1-6,11H,7-10,12-13H2.
What are the key properties of [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate?
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate has a molecular weight of 397.39 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 2-(benzotriazol-1-yl)acetate is sourced from PubChem (CID 16560225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).