3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one

C20H24N4O3 — CID 176571546

IUPAC3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C1CCC(n2c(=O)oc3cc(CN4CCNCC4)ccc32)C(=C2CC2)N1
InChIInChI=1S/C20H24N4O3/c25-18-6-5-16(19(22-18)14-2-3-14)24-15-4-1-13(11-17(15)27-20(24)26)12-23-9-7-21-8-10-23/h1,4,11,16,21H,2-3,5-10,12H2,(H,22,25)
InChIKeySNVLLBBBLMLFOV-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.50
Rot. Bonds3

About 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one

3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one (PubChem CID 176571546) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one
PubChem CID176571546
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one
SMILESO=C1CCC(n2c(=O)oc3cc(CN4CCNCC4)ccc32)C(=C2CC2)N1
InChIInChI=1S/C20H24N4O3/c25-18-6-5-16(19(22-18)14-2-3-14)24-15-4-1-13(11-17(15)27-20(24)26)12-23-9-7-21-8-10-23/h1,4,11,16,21H,2-3,5-10,12H2,(H,22,25)
InChIKeySNVLLBBBLMLFOV-UHFFFAOYSA-N
XLogP1.50
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one with MolForge

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Related Compounds

3-[2-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172591531
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-[(5S)-2-oxo-5-[4-(piperazin-1-ylmethyl)phenyl]-1,3-oxazolidin-3-yl]piperidine-2,6-dione
CID 151819661
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]propoxy]ethoxy]ethyl]carbamic acid
CID 138695345
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
2-(2,6-dioxopiperidin-3-yl)-5-(imidazolidin-1-ylmethyl)isoindole-1,3-dione
CID 167715877
2-(2,6-dioxopiperidin-3-yl)-5-[[4-(2-piperazin-1-ylethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 167724738
3-[3-methyl-5-[[4-[methyl(propan-2-yl)amino]piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166472201

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one (CID 176571546) is 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one is O=C1CCC(n2c(=O)oc3cc(CN4CCNCC4)ccc32)C(=C2CC2)N1.
What is the InChIKey of 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one?
The InChIKey is SNVLLBBBLMLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-18-6-5-16(19(22-18)14-2-3-14)24-15-4-1-13(11-17(15)27-20(24)26)12-23-9-7-21-8-10-23/h1,4,11,16,21H,2-3,5-10,12H2,(H,22,25).
What are the key properties of 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one?
3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylidene-6-oxopiperidin-3-yl)-6-(piperazin-1-ylmethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 176571546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).