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156724-52-6 | 3-Piperidinecarboxylic acid, 1-(3,4-dimethyl-3-penten-1-yl)-4-[(1-oxopropyl)phenylamino]-, methyl ester
CAS No: 156724-52-6 Catalog No: AG001OY2 MDL No:
Product Description
Catalog Number:
AG001OY2
Chemical Name:
3-Piperidinecarboxylic acid, 1-(3,4-dimethyl-3-penten-1-yl)-4-[(1-oxopropyl)phenylamino]-, methyl ester
CAS Number:
156724-52-6
Molecular Formula:
C23H34N2O3
Molecular Weight:
386.5277
IUPAC Name:
methyl 1-(3,4-dimethylpent-3-enyl)-4-(N-propanoylanilino)piperidine-3-carboxylate
InChI:
InChI=1S/C23H34N2O3/c1-6-22(26)25(19-10-8-7-9-11-19)21-13-15-24(14-12-18(4)17(2)3)16-20(21)23(27)28-5/h7-11,20-21H,6,12-16H2,1-5H3
InChI Key:
PNWCAOZHGRRFTH-UHFFFAOYSA-N
SMILES:
COC(=O)C1CN(CCC1N(c1ccccc1)C(=O)CC)CCC(=C(C)C)C
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.257g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.536g/mol
Monoisotopic Mass:
386.257g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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