N-(propan-2-yl)-2-{4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}acetamide

HCID 65712

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Basic information

CAS: 23887-47-0
Standard SMILES: COc1cc(C=CC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1OC
InChIKey: SGDDXBVRZYARLT-UHFFFAOYSA-N
Molecular formula: C21H31N3O5
Average molar mass: 405.5 g/mol
Monoisotopic mass: 405.2263711

Names & identifiers

Preferred name: N-(propan-2-yl)-2-{4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}acetamide
IUPAC: N-propan-2-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
English name: cinpropazide
Molecular formula: C21H31N3O5
Molecular weight: 405.49

Names & synonyms

MLS006011527DTXSID10865122AKOS034621033SMR004703299NS00084145Q27275876N-(propan-2-yl)-2-{4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]piperazin-1-yl}acetamidecinpropazidecinpropazide USP/EP/BPN-Isopropyl-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl]-1-piperazineacetamide1-Piperazineacetamide, N-(1-methylethyl)-4-[1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-

Database identifiers

CAS: 23887-47-0
PubChem CID: 65712
DTXSID: DTXSID10865122

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 80.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 547

Physicochemical properties

Boiling point: 634.5 · 634.5±55.0 °C(Predicted)
Density: 1.145 · 1.145±0.06 g/cm3(Predicted)
pka: 15.8 · 15.80±0.46(Predicted)
FDA UNII: 9 T97T0XH · CX9T97T0XH

Chemistry & industry

Suppliers2 total

上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]

陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]

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