3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-

HCID 39552

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Basic information

CAS: 49832-50-0
Standard SMILES: CC12CCC(C(=O)N(CC#CCN3CCCCC3)C1=O)C2(C)C
InChIKey: YAEPVNDPVUGYJN-UHFFFAOYSA-N
Molecular formula: C19H28N2O2
Average molar mass: 316.4 g/mol
Monoisotopic mass: 316.21507814

Names & identifiers

Preferred name: 3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-
IUPAC: 1,8,8-trimethyl-3-(4-piperidin-1-ylbut-2-ynyl)-3-azabicyclo[3.2.1]octane-2,4-dione
English name: 3-[4-(1-Piperidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dione
Molecular formula: C19H28N2O2
Molecular weight: 316.44

Names & synonyms

BRN 149395149832-50-03-(4-(1-Piperidinyl)-2-butynyl)-1,8,8-trimethyl-3-azabicyclo(3.2.1)octane-2,4-dione3-Azabicyclo(3.2.1)octane-2,4-dione, 3-(4-(1-piperidinyl)-2-butynyl)-1,8,8-trimethyl-3-[4-(1-Piperidinyl)-2-butynyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane-2,4-dioneRefChem:276752DTXSID409644351,8,8-trimethyl-3-[4-(piperidin-1-yl)but-2-yn-1-yl]-3-azabicyclo[3.2.1]octane-2,4-dioneReaxys ID: 14939513-Azabicyclo[3.2.1]octane-2,4-dione, 1,8,8-trimethyl-3-[4-(1-piperidinyl)-2-butyn-1-yl]-

Database identifiers

CAS: 49832-50-0
PubChem CID: 39552
DTXSID: DTXSID40964435
Nikkaji: J62.358J

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 40.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 577

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